Geometry & MOs

Info

ID:	174653
PubChem CID:	75801653
Reduced:	FO2N3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	381.192666
ΔH_f, kcal/mol:	-92.96
Dipole, Da:	3.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.095378
Charge, e:	1

Chem-info

IUPAC name:

2-cycloheptyl-N-[2-(1H-imidazol-1-ium-4-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC[NH+]1CCC2=CC=CC=C2C1)NC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations