Geometry & MOs

Info

ID:	244282
PubChem CID:	99319678
Reduced:	O3N6C18H20 (1)
Stoich.:	A3B6C18D20 (1)
Weight, g/mol:	432.252526
ΔH_f, kcal/mol:	35.87
Dipole, Da:	9.07
IP(EA), eV:	-9.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methoxypiperidin-1-yl)methyl]-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)NC(=O)CN3C=C(N=C3C)[N+](=O)[O-]

DOS

IR

Vibrations