Geometry & MOs

Info

ID:	129712
PubChem CID:	51073617
Reduced:	ClON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	266.141913
ΔH_f, kcal/mol:	26.95
Dipole, Da:	4.11
IP(EA), eV:	-9.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1CC1N(CC2=CC=NC=C2)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations