Geometry & MOs

Info

ID:	446411
PubChem CID:	135274786
Reduced:	N2O2C9H12 (1)
Stoich.:	A2B2C9D12 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-37.09
Dipole, Da:	5.55
IP(EA), eV:	-9.2(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-acetyl-3-amino-N-benzylbut-2-enamide

Drug info:

PubChemData

Smile

C/C(=C(\C(=O)C)/C(=O)NCC#C)/N

DOS

IR

Vibrations