Geometry & MOs

Info

ID:	165082
PubChem CID:	74498582
Reduced:	N3O4C28H44 (1)
Stoich.:	A3B4C28D44 (1)
Weight, g/mol:	415.238553
ΔH_f, kcal/mol:	-150.42
Dipole, Da:	13.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757126
Charge, e:	1

Chem-info

IUPAC name:

3-(2-azoniabicyclo[2.2.1]heptan-2-ylmethyl)-1-[(4-methoxyphenyl)methyl]-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one

Drug info:

PubChemData

Smile

CC(CCC=C(C)C)C[NH+]1CCC(CC1)C2(C(=O)N(C(=O)N2)CCOC)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations