Geometry & MOs

Info

ID:	398712
PubChem CID:	135034979
Reduced:	N2O4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	357.220498
ΔH_f, kcal/mol:	-189.59
Dipole, Da:	3.69
IP(EA), eV:	-9.58(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(E,2S)-4-[(2R)-2-methylpyrrolidin-1-yl]-2-phenylbut-3-enyl]cyclohex-2-en-1-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

CC(C)/C=C\1/C(=O)N(CC(=O)N1)C(=O)OC(C)(C)C

DOS

IR

Vibrations