Geometry & MOs

Info

ID:	196814
PubChem CID:	78881544
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-81.48
Dipole, Da:	6.73
IP(EA), eV:	-8.6(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-acetamido-2-methylphenyl)-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]oxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NN1)C(=O)N(C)CC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations