Geometry & MOs

Info

ID:	402512
PubChem CID:	135056242
Reduced:	ClON2C21H29 (1)
Stoich.:	ABC2D21E29 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-24.29
Dipole, Da:	2.57
IP(EA), eV:	-8.36(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Drug info:

PubChemData

Smile

CCC(C)N(CC(=O)C1=CC=CN1CC2=CC=CC=C2Cl)C(C)CC

DOS

IR

Vibrations