Geometry & MOs

Info

ID:	167277
PubChem CID:	74801098
Reduced:	F3O3N4C24H34 (1)
Stoich.:	A3B3C4D24E34 (1)
Weight, g/mol:	407.103669
ΔH_f, kcal/mol:	-244.04
Dipole, Da:	2.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753176
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-methoxyphenyl)-5-(quinoline-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-3-one

Drug info:

PubChemData

Smile

CC(C)CCC1(C(=O)N(C(=O)N1)CC[NH+](C)C)C2CCN(CC2)C(=O)C3=C(C=CC(=C3F)F)F

DOS

IR

Vibrations