Geometry & MOs

Info

ID:	312299
PubChem CID:	126604162
Reduced:	N2C23H50 (1)
Stoich.:	A2B23C50 (1)
Weight, g/mol:	608.242356
ΔH_f, kcal/mol:	-84.96
Dipole, Da:	1.88
IP(EA), eV:	-8.32(2.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[3-[[N-benzyl-4-[(E)-2-carboxy-2-cyanoethenyl]anilino]methyl]phenyl]-2-cyano-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCN(CCCCCC(C)N(CCCC)CCCC)C(C)C

DOS

IR

Vibrations