Geometry & MOs

Info

ID:	196797
PubChem CID:	78880051
Reduced:	ClN2O4C22H31 (1)
Stoich.:	AB2C4D22E31 (1)
Weight, g/mol:	420.26376
ΔH_f, kcal/mol:	-188.49
Dipole, Da:	2.35
IP(EA), eV:	-8.3(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)CC(CC2NC(=O)NC(C)C3=C(C=CC(=C3)OC)OC)(C)C.Cl

DOS

IR

Vibrations