Geometry & MOs

Info

ID:	126266
PubChem CID:	50957982
Reduced:	ON8H16C18 (1)
Stoich.:	AB8C16D18 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	187.95
Dipole, Da:	11.72
IP(EA), eV:	-8.95(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methyl-4-(pentanoylamino)phenyl]-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)N2/C(=C/3\C=C(C=CC3=O)N4C=NN=N4)/N=C(N2)C5CC5

DOS

IR

Vibrations