Geometry & MOs

Info

ID:	204121
PubChem CID:	79915359
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	190.096694
ΔH_f, kcal/mol:	-34.56
Dipole, Da:	2.76
IP(EA), eV:	-9.27(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(1-methylpyrazol-4-yl)pyrimidine-4,5-diamine

Drug info:

PubChemData

Smile

CNC(C1CCOC2(C1)CCCC2)C3=CC=NC=C3

DOS

IR

Vibrations