Geometry & MOs

Info

ID:	128115
PubChem CID:	51031866
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	335.113313
ΔH_f, kcal/mol:	-38.07
Dipole, Da:	6.36
IP(EA), eV:	-8.89(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-(benzylamino)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N/C(=C\C(=O)OC)/C2=CC=CC=C2

DOS

IR

Vibrations