Geometry & MOs

Info

ID:	174152
PubChem CID:	75731300
Reduced:	ClNO2C14H18 (2)
Stoich.:	ABC2D14E18 (2)
Weight, g/mol:	404.303893
ΔH_f, kcal/mol:	-172.98
Dipole, Da:	5.14
IP(EA), eV:	-8.96(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[3-(4-methoxyphenyl)propanoyl-propylamino]heptanamide

Drug info:

PubChemData

Smile

CCCN(C(C1=CC2=C(C=C1)OCO2)C(=O)NC(C)(C)CC(C)(C)C)C(=O)CC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations