Geometry & MOs

Info

ID:	392326
PubChem CID:	135014523
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	511.304621
ΔH_f, kcal/mol:	-114.65
Dipole, Da:	2.13
IP(EA), eV:	-8.12(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4aS,11aR)-2-[(2S)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-3,4,4a,5,6,11-hexahydro-1H-pyrido[4,3-b]carbazole-11a-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)O[C@]3(CCCO3)CC2

DOS

IR

Vibrations