Geometry & MOs

Info

ID:	60877
PubChem CID:	26702792
Reduced:	N2O7H22C24 (1)
Stoich.:	A2B7C22D24 (1)
Weight, g/mol:	419.173273
ΔH_f, kcal/mol:	-143.74
Dipole, Da:	3.51
IP(EA), eV:	-8.99(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-methylbenzoyl)amino]phenyl] 3-(3,5-dimethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations