Geometry & MOs

Info

ID:	360663
PubChem CID:	127301308
Reduced:	O2N5C19H19 (1)
Stoich.:	A2B5C19D19 (1)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	32.11
Dipole, Da:	9.58
IP(EA), eV:	-9.13(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-imidazol-1-ylpiperidin-1-yl)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=CN=C2)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations