Geometry & MOs

Info

ID:	64877
PubChem CID:	29204142
Reduced:	O2N3C25H29 (1)
Stoich.:	A2B3C25D29 (1)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	-12.69
Dipole, Da:	5.47
IP(EA), eV:	-8.62(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)C2=CN(N=C2C3=CC=CC=C3OC)CC4=CC=CC=C4)C

DOS

IR

Vibrations