Geometry & MOs

Info

ID:	286828
PubChem CID:	104222553
Reduced:	ON6C13H18 (1)
Stoich.:	AB6C13D18 (1)
Weight, g/mol:	274.154209
ΔH_f, kcal/mol:	48.49
Dipole, Da:	8.07
IP(EA), eV:	-9.54(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNCC1=CN=C(N=C1)N2C=CC(=N2)C(=O)NC

DOS

IR

Vibrations