Geometry & MOs

Info

ID:	375936
PubChem CID:	134221932
Reduced:	NF2O4C33H35 (1)
Stoich.:	AB2C4D33E35 (1)
Weight, g/mol:	387.07684
ΔH_f, kcal/mol:	-229.47
Dipole, Da:	7.42
IP(EA), eV:	-8.5(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CN2CC3=C(C=C(C=C3)F)C)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations