Geometry & MOs

Info

ID:	308664
PubChem CID:	126497301
Reduced:	N2O3C25H36 (1)
Stoich.:	A2B3C25D36 (1)
Weight, g/mol:	354.230728
ΔH_f, kcal/mol:	-127.89
Dipole, Da:	2.63
IP(EA), eV:	-8.64(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R,10S,13S)-17-(cyclopropylmethyl)-13-(methylamino)-11-oxa-17-azapentacyclo[7.5.3.210,13.01,10.02,7]nonadeca-2(7),3,5-trien-4-ol

Drug info:

PubChemData

Smile

CC12[C@H]3CC4=C([C@@]1(CCN3CC5CC5)CC(CO2)NC(=O)C(C)(C)C)C=C(C=C4)O

DOS

IR

Vibrations