Geometry & MOs

Info

ID:	123570
PubChem CID:	50854453
Reduced:	ClN2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	344.150033
ΔH_f, kcal/mol:	-41.1
Dipole, Da:	9.21
IP(EA), eV:	-8.84(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(1-cyclohexylpyrrol-3-yl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C=CC(=C2)C=NC3=CC(=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations