Geometry & MOs

Info

ID:	73290
PubChem CID:	48417376
Reduced:	O2N5C13H13 (1)
Stoich.:	A2B5C13D13 (1)
Weight, g/mol:	357.099252
ΔH_f, kcal/mol:	-3.29
Dipole, Da:	4.87
IP(EA), eV:	-9.36(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-(4-chlorobenzoyl)piperidine-3-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)C)C)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations