Geometry & MOs

Info

ID:	449918
PubChem CID:	135302540
Reduced:	ClN2O4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	239.107692
ΔH_f, kcal/mol:	-104.37
Dipole, Da:	4.95
IP(EA), eV:	-8.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-(4-phenylbutan-2-ylamino)propanal

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=C(C=C2)/C=C/C(=O)NC3=CC4=C(C=C3)OCO4)NC(=O)CCl

DOS

IR

Vibrations