Geometry & MOs

Info

ID:	255244
PubChem CID:	103130858
Reduced:	N5C10H13 (1)
Stoich.:	A5B10C13 (1)
Weight, g/mol:	217.132746
ΔH_f, kcal/mol:	86.1
Dipole, Da:	6.19
IP(EA), eV:	-9.26(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrazol-3-yl)-pyrimidin-4-ylmethyl]ethanamine

Drug info:

PubChemData

Smile

CNC(C1=NC=NC=C1)C2=NN(C=C2)C

DOS

IR

Vibrations