Geometry & MOs

Info

ID:	189328
PubChem CID:	77840821
Reduced:	N7O7C22H32 (1)
Stoich.:	A7B7C22D32 (1)
Weight, g/mol:	407.293663
ΔH_f, kcal/mol:	-191.38
Dipole, Da:	7.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.870154
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-3-(1-ethyl-3,4,6,7,12,12b-hexahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanamide

Drug info:

PubChemData

Smile

CCN(CC)CCC1=NC(=NO1)CCC[N+]2=CN=C3C2C(=O)N(C(=O)N3C)C.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations