Geometry & MOs

Info

ID:	431017
PubChem CID:	135171087
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-36.54
Dipole, Da:	3.59
IP(EA), eV:	-8.68(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-aminocyclohexa-1,4-dien-1-yl)-N-ethyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=C(C(=NC=N1)N2CCC(CC2)OC3=CN=C(C=C3)OC)C

DOS

IR

Vibrations