Geometry & MOs

Info

ID:	147901
PubChem CID:	53787560
Reduced:	ClNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	438.288243
ΔH_f, kcal/mol:	-95.64
Dipole, Da:	4.65
IP(EA), eV:	-9.85(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dimethoxyphenyl)-N-[(2R)-5-(1H-pyrrol-3-yl)pentan-2-yl]deca-2,4-dienamide

Drug info:

PubChemData

Smile

C1CN(C(C=C(C1C=O)Cl)CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations