Geometry & MOs

Info

ID:	407132
PubChem CID:	135079370
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	351.183444
ΔH_f, kcal/mol:	-102.51
Dipole, Da:	2.57
IP(EA), eV:	-9.51(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)ONC(=O)CCCC(=C)C)C

DOS

IR

Vibrations