Geometry & MOs

Info

ID:	130432
PubChem CID:	51088030
Reduced:	N2O2C21H28 (1)
Stoich.:	A2B2C21D28 (1)
Weight, g/mol:	322.10659
ΔH_f, kcal/mol:	-78.71
Dipole, Da:	3.73
IP(EA), eV:	-9.04(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-4-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

C/C(=C/C(=O)N1CCC(CC1)C(=O)N2CCCCC2)/C3=CC=CC=C3

DOS

IR

Vibrations