Geometry & MOs

Info

ID:	286802
PubChem CID:	104222455
Reduced:	N5C16H19 (1)
Stoich.:	A5B16C19 (1)
Weight, g/mol:	253.132746
ΔH_f, kcal/mol:	99.92
Dipole, Da:	4.51
IP(EA), eV:	-8.83(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-indazol-1-ylpyrimidin-5-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)CNCC1=CN=C(N=C1)N2C3=CC=CC=C3C=N2

DOS

IR

Vibrations