Geometry & MOs

Info

ID:	395732
PubChem CID:	135026381
Reduced:	OC14H16 (1)
Stoich.:	AB14C16 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	-3.06
Dipole, Da:	2.21
IP(EA), eV:	-9.2(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3R,5S)-4,4-dicyano-3,5-bis(4-methylphenyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(=C=C)C1(CCCC2=CC=CC=C21)O

DOS

IR

Vibrations