Geometry & MOs

Info

ID:	375964
PubChem CID:	134221961
Reduced:	O9C45H50 (1)
Stoich.:	A9B45C50 (1)
Weight, g/mol:	373.061189
ΔH_f, kcal/mol:	-267.7
Dipole, Da:	5.3
IP(EA), eV:	-8.67(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(OCC2C(O1)C(C(O2)OCC(C(C(COCC3=CC4=CC=CC=C4C=C3)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)O)C

DOS

IR

Vibrations