Geometry & MOs

Info

ID:	435779
PubChem CID:	135192385
Reduced:	ClF2O2N9H28C30 (1)
Stoich.:	AB2C2D9E28F30 (1)
Weight, g/mol:	273.092042
ΔH_f, kcal/mol:	-10.26
Dipole, Da:	5.79
IP(EA), eV:	-8.65(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-chloro-N,2-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1CCCC(C2=CC=CC(=C2)C3=C(C=NN3C(F)F)NC1=O)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N(/C=C(/C#N)\N)N

DOS

IR

Vibrations