Geometry & MOs

Info

ID:	326738
PubChem CID:	126688112
Reduced:	INH10C16 (1)
Stoich.:	ABC10D16 (1)
Weight, g/mol:	116.058578
ΔH_f, kcal/mol:	84.7
Dipole, Da:	3.21
IP(EA), eV:	-8.45(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-oxobutanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(N3)C=CC(=C4)I

DOS

IR

Vibrations