Geometry & MOs

Info

ID:	53439
PubChem CID:	14715942
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-98.86
Dipole, Da:	1.76
IP(EA), eV:	-9.5(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethylphenyl)-2-oxoethyl]-N-formylformamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)CN(C=O)C=O)C

DOS

IR

Vibrations