Geometry & MOs

Info

ID:	152060
PubChem CID:	56310911
Reduced:	N2O3C21H32 (1)
Stoich.:	A2B3C21D32 (1)
Weight, g/mol:	429.216475
ΔH_f, kcal/mol:	-130.09
Dipole, Da:	2.67
IP(EA), eV:	-8.67(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyano-2-phenylpyrazol-3-yl)-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC1CN(CCO1)C(=O)CN2CCC(CC2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations