Geometry & MOs

Info

ID:	196479
PubChem CID:	78836713
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	-45.01
Dipole, Da:	6.16
IP(EA), eV:	-9.12(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxyphenyl)-[1-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCC(CC3)C(=O)C4=CC=C(C=C4)O

DOS

IR

Vibrations