Geometry & MOs

Info

ID:	210884
PubChem CID:	80867775
Reduced:	N3C7H11 (2)
Stoich.:	A3B7C11 (2)
Weight, g/mol:	246.122909
ΔH_f, kcal/mol:	53.45
Dipole, Da:	5.14
IP(EA), eV:	-9.07(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1N2C(=NC(=N2)CC)CC)NCC

DOS

IR

Vibrations