Geometry & MOs

Info

ID:	376212
PubChem CID:	134222220
Reduced:	ClNOF3H21C22 (1)
Stoich.:	ABCD3E21F22 (1)
Weight, g/mol:	195.081477
ΔH_f, kcal/mol:	-156.1
Dipole, Da:	4.55
IP(EA), eV:	-9.51(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(2-chlorophenyl)methyl]but-1-en-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Cl)C(/C=C/C2=CC=C(C=C2)CNC(=O)C3CC3)C(F)(F)F

DOS

IR

Vibrations