Geometry & MOs

Info

ID:	308640
PubChem CID:	126497233
Reduced:	NO4C21H25 (1)
Stoich.:	AB4C21D25 (1)
Weight, g/mol:	418.262028
ΔH_f, kcal/mol:	-106.73
Dipole, Da:	1.13
IP(EA), eV:	-8.85(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9R)-N-benzyl-17-(cyclopropylmethyl)-4-methoxy-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-amine

Drug info:

PubChemData

Smile

C1CC1CN2CCC34CC5(CC[C@]3([C@H]2CC6=C4C=C(C=C6)O)OC5=O)O

DOS

IR

Vibrations