Geometry & MOs

Info

ID:	73373
PubChem CID:	48417548
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	362.11611
ΔH_f, kcal/mol:	-2.08
Dipole, Da:	1.38
IP(EA), eV:	-9.5(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2C(=C(C=N2)C#N)N)C(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations