Geometry & MOs

Info

ID:	89357
PubChem CID:	49960743
Reduced:	O4N5H11C12 (1)
Stoich.:	A4B5C11D12 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-0.49
Dipole, Da:	13.17
IP(EA), eV:	-9.24(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-methyl-1H-imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)C(=O)NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations