Geometry & MOs

Info

ID:	286825
PubChem CID:	104222538
Reduced:	ClN5C12H16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	260.138559
ΔH_f, kcal/mol:	73.11
Dipole, Da:	4.8
IP(EA), eV:	-9.13(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C=C1Cl)C2=NC=C(C=N2)CNC(C)C

DOS

IR

Vibrations