Geometry & MOs

Info

ID:	216879
PubChem CID:	85086920
Reduced:	ClNOH18C19 (1)
Stoich.:	ABCD18E19 (1)
Weight, g/mol:	312.033346
ΔH_f, kcal/mol:	4.59
Dipole, Da:	5.09
IP(EA), eV:	-9.75(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2,2-dicyano-3,3-bis(trifluoromethyl)cyclopropyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1(CC(OC(C1)C2=CC=C(C=C2)C#N)C3=CC=CC=C3)Cl

DOS

IR

Vibrations