Geometry & MOs

Info

ID:

308638

PubChem CID:

126497228

Reduced:

NOC21H23 (2)

Stoich.:

ABC21D23 (2)

Weight, g/mol:

430.262028

ΔHf, kcal/mol:

30.19

Dipole, Da:

2.39

IP(EA), eV:

 -8.39(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,9R,10S)-17-(cyclopropylmethyl)-4-methoxy-N-phenyl-11-oxa-17-azapentacyclo[7.5.3.210,13.01,10.02,7]nonadeca-2(7),3,5-trien-13-amine

Drug info:

PubChemData

Smile

C1CC1CN2CC[C@]34CC5(CCC3([C@H]2CC6=C4C=C(C=C6)OCC7=CC=CC=C7)OC5)N(CC8=CC=CC=C8)CC9=CC=CC=C9

DOS

IR

Vibrations