Geometry & MOs

Info

ID:	222605
PubChem CID:	85305606
Reduced:	NO5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	379.214744
ΔH_f, kcal/mol:	-128.6
Dipole, Da:	4.25
IP(EA), eV:	-9.76(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(1-benzyl-4-hydroxypiperidin-4-yl)phenyl]but-2-enoate

Drug info:

PubChemData

Smile

CCC1CC1(C(=O)C(=O)O)N2C(C(OC2=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations