Geometry & MOs

Info

ID:	143701
PubChem CID:	53251089
Reduced:	ON2S2C65H76 (1)
Stoich.:	AB2C2D65E76 (1)
Weight, g/mol:	291.137162
ΔH_f, kcal/mol:	131.85
Dipole, Da:	2.23
IP(EA), eV:	-7.88(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-(4-pyrrolidin-3-ylphenyl)benzamide

Drug info:

PubChemData

Smile

CCCCCCN(CCCCCC)C1=CC=C(C=C1)/C=C/C2=CC=C(S2)C#CC3=CC4=C(C=C3)C5=C(C4(CCCC)CCCC)C=C(C=C5)C#CC6=CC=C(S6)/C=C/C7=CC=C(C=C7)N(CC)CCO

DOS

IR

Vibrations