Geometry & MOs

Info

ID:	347500
PubChem CID:	127272355
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-6.53
Dipole, Da:	1.66
IP(EA), eV:	-8.76(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)NC2=CC=CC=C2NC3CCN(CC3)C

DOS

IR

Vibrations