Geometry & MOs

Info

ID:	317275
PubChem CID:	126635308
Reduced:	NSO2C28H45 (1)
Stoich.:	ABC2D28E45 (1)
Weight, g/mol:	348.183778
ΔH_f, kcal/mol:	-110.48
Dipole, Da:	4.22
IP(EA), eV:	-8.53(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-cyanopiperidin-1-yl)methyl]-4-phenylbenzoate

Drug info:

PubChemData

Smile

CCCCCOCCC1=C(C2=C(CC3C(C2(CCN3C4CCC4)C)(C)O)C=C1)SCCC

DOS

IR

Vibrations