Geometry & MOs

Info

ID:	286827
PubChem CID:	104222552
Reduced:	ON6C11H14 (1)
Stoich.:	AB6C11D14 (1)
Weight, g/mol:	274.154209
ΔH_f, kcal/mol:	51.71
Dipole, Da:	8.4
IP(EA), eV:	-9.68(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[5-(propylaminomethyl)pyrimidin-2-yl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N=C1)N2C=CC(=N2)C(=O)N

DOS

IR

Vibrations