Geometry & MOs

Info

ID:	248060
PubChem CID:	103078601
Reduced:	N2C6H11 (2)
Stoich.:	A2B6C11 (2)
Weight, g/mol:	247.062473
ΔH_f, kcal/mol:	14.21
Dipole, Da:	2.06
IP(EA), eV:	-7.73(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-1-methylpyrazol-3-yl)amino]-4-chlorobenzonitrile

Drug info:

PubChemData

Smile

CCC1CCCC(C1)NC2=NN(C=C2N)C

DOS

IR

Vibrations