Geometry & MOs

Info

ID:	151644
PubChem CID:	56260874
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	415.200825
ΔH_f, kcal/mol:	12.6
Dipole, Da:	4.92
IP(EA), eV:	-9.15(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)NC3=C(ON=C3C)C

DOS

IR

Vibrations