Geometry & MOs

Info

ID:	62757
PubChem CID:	26736638
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	379.193415
ΔH_f, kcal/mol:	-29.52
Dipole, Da:	2.15
IP(EA), eV:	-9.01(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-fluorophenyl)imidazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43)CC5=CC=CC=C5

DOS

IR

Vibrations