Geometry & MOs

Info

ID:	286830
PubChem CID:	104222555
Reduced:	ON6C13H16 (1)
Stoich.:	AB6C13D16 (1)
Weight, g/mol:	288.169859
ΔH_f, kcal/mol:	77.12
Dipole, Da:	7.26
IP(EA), eV:	-9.58(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1=NN(C=C1)C2=NC=C(C=N2)CNC3CC3

DOS

IR

Vibrations