Geometry & MOs

Info

ID:	122789
PubChem CID:	50821621
Reduced:	BrN2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	386.13972
ΔH_f, kcal/mol:	-31.46
Dipole, Da:	3.3
IP(EA), eV:	-9.04(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations