Geometry & MOs

Info

ID:	174706
PubChem CID:	75806481
Reduced:	O3N4C11H15 (1)
Stoich.:	A3B4C11D15 (1)
Weight, g/mol:	373.108086
ΔH_f, kcal/mol:	-38.85
Dipole, Da:	19.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.888042
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenoxy)propyl 2-acetamido-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

C[NH+](C)CCNC(=O)C(=O)N=C1C=NC=CC1=O

DOS

IR

Vibrations