Geometry & MOs

Info

ID:	176896
PubChem CID:	76108109
Reduced:	O3N5C18H27 (1)
Stoich.:	A3B5C18D27 (1)
Weight, g/mol:	452.340279
ΔH_f, kcal/mol:	-104.48
Dipole, Da:	5.26
IP(EA), eV:	-9.36(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[2-(9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,8,9,9b,10,11-tetradecahydro-1H-indeno[5,4-f]quinolin-1-yl)propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC(CC1=CC=CC=C1)C2NC3C(N2)NC(NC3=O)N

DOS

IR

Vibrations