Geometry & MOs

Info

ID:	244061
PubChem CID:	99309545
Reduced:	N2O5C25H32 (1)
Stoich.:	A2B5C25D32 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	-182.37
Dipole, Da:	2.79
IP(EA), eV:	-8.43(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethylpyrazol-1-yl)-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCCC(=O)NC2CCN(CC2)C(=O)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations