Geometry & MOs

Info

ID:	423341
PubChem CID:	135119333
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	-93.36
Dipole, Da:	5.48
IP(EA), eV:	-8.92(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyano-4-phenylpiperidin-1-yl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CO1)CN2CCC[C@@]3([C@@H]2CCOC3)C4=CCOCC4

DOS

IR

Vibrations