Geometry & MOs

Info

ID:	407073
PubChem CID:	135079276
Reduced:	NOPC26H30 (1)
Stoich.:	ABCD26E30 (1)
Weight, g/mol:	351.183444
ΔH_f, kcal/mol:	-35.49
Dipole, Da:	7.23
IP(EA), eV:	-9.2(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(E)-6-phenylhex-5-enoyl]amino] 2,4,6-trimethylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)P(=O)(C2=CC(=CC(=C2)C)C)/N=C(/C3=CC=CC=C3)\C(C)C)C

DOS

IR

Vibrations