Geometry & MOs

Info

ID:	369463
PubChem CID:	127333447
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-37.09
Dipole, Da:	6.81
IP(EA), eV:	-8.98(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)NC(=O)C(C)N2CCCC(C2)N3CCCC3

DOS

IR

Vibrations