Geometry & MOs

Info

ID:	296125
PubChem CID:	117557243
Reduced:	N5C9H17 (1)
Stoich.:	A5B9C17 (1)
Weight, g/mol:	221.164046
ΔH_f, kcal/mol:	19.35
Dipole, Da:	3.04
IP(EA), eV:	-8.79(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(3-aminopropyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NCCCN)NC

DOS

IR

Vibrations