Geometry & MOs

Info

ID:	210338
PubChem CID:	80791032
Reduced:	N5C13H17 (1)
Stoich.:	A5B13C17 (1)
Weight, g/mol:	229.132746
ΔH_f, kcal/mol:	52.56
Dipole, Da:	4.75
IP(EA), eV:	-9.01(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NCCC2=CC=NC=C2)NC

DOS

IR

Vibrations