Geometry & MOs

Info

ID:	313485
PubChem CID:	126614974
Reduced:	NO2C14H25 (1)
Stoich.:	AB2C14D25 (1)
Weight, g/mol:	451.178358
ΔH_f, kcal/mol:	-79.61
Dipole, Da:	2.77
IP(EA), eV:	-9.09(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 2-acetyloxy-3-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCC1(C=C(C(N1O)(CC)CC)C(=O)C)CC

DOS

IR

Vibrations