Geometry & MOs

Info

ID:	286829
PubChem CID:	104222554
Reduced:	ON6C13H18 (1)
Stoich.:	AB6C13D18 (1)
Weight, g/mol:	272.138559
ΔH_f, kcal/mol:	44.62
Dipole, Da:	8.22
IP(EA), eV:	-9.52(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]-N-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)NCC1=CN=C(N=C1)N2C=CC(=N2)C(=O)NC

DOS

IR

Vibrations