Geometry & MOs

Info

ID:	68510
PubChem CID:	46508556
Reduced:	FN3O3C16H20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	422.150954
ΔH_f, kcal/mol:	-82.14
Dipole, Da:	6.64
IP(EA), eV:	-8.86(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)NC(=O)C(C)N(C)CC2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations