Geometry & MOs

Info

ID:	376210
PubChem CID:	134222218
Reduced:	O2F4N4H26C27 (1)
Stoich.:	A2B4C4D26E27 (1)
Weight, g/mol:	357.09074
ΔH_f, kcal/mol:	-222.58
Dipole, Da:	5.77
IP(EA), eV:	-9.34(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-3-(3-chloro-4-fluoro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)N2C=CC(=NC2=O)N)C(C)/C=C/C3=CC4=C(C=C3)C(C(C4)F)NC(=O)CC(F)F

DOS

IR

Vibrations