Geometry & MOs

Info

ID:	362721
PubChem CID:	127309266
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	395.268511
ΔH_f, kcal/mol:	-58.81
Dipole, Da:	5.13
IP(EA), eV:	-9.4(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CNC(=O)N2CCCC3(C2)CCCCC3

DOS

IR

Vibrations