Geometry & MOs

Info

ID:	70807
PubChem CID:	48413897
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	404.188212
ΔH_f, kcal/mol:	-33.09
Dipole, Da:	11.82
IP(EA), eV:	-9.23(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=C1CCC(=O)NCC2=C(NN=C2)C)C)C#N

DOS

IR

Vibrations