Geometry & MOs

Info

ID:	129711
PubChem CID:	51073616
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	286.087291
ΔH_f, kcal/mol:	-58.54
Dipole, Da:	1.15
IP(EA), eV:	-8.27(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-cyclopropyl-N-(pyridin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=CC2=O)COC3=CC=C(C=C3)N4CCCC4=O)C=C1

DOS

IR

Vibrations