Geometry & MOs

Info

ID:	291490
PubChem CID:	112814473
Reduced:	OSN6C22H22 (1)
Stoich.:	ABC6D22E22 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	79.81
Dipole, Da:	2.36
IP(EA), eV:	-8.95(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=C5C=CSC5=NC=N4)C

DOS

IR

Vibrations