Geometry & MOs

Info

ID:	155959
PubChem CID:	56368484
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-16.75
Dipole, Da:	6.67
IP(EA), eV:	-8.7(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-N-(1-butylpiperidin-4-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOCCCC(=O)NC1=CC(=NN1CC2=CC=CC=C2)C3=CC=CC=C3C

DOS

IR

Vibrations