Geometry & MOs

Info

ID:	296649
PubChem CID:	117587383
Reduced:	O3N6H12C16 (1)
Stoich.:	A3B6C12D16 (1)
Weight, g/mol:	350.112738
ΔH_f, kcal/mol:	92.24
Dipole, Da:	3.26
IP(EA), eV:	-9.89(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-3-(4-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CN(N=C1)C2=NC=NC(=C2)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations