Geometry & MOs

Info

ID:	138267
PubChem CID:	52336454
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	181.085127
ΔH_f, kcal/mol:	-131.74
Dipole, Da:	4.57
IP(EA), eV:	-8.89(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(2-formylimidazol-1-yl)-2-methylpropanamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@H]1CCCN(C1)[C@@H](C)C(=O)NCC2=CC(=CC=C2)OC

DOS

IR

Vibrations