Geometry & MOs

Info

ID:	296096
PubChem CID:	117556415
Reduced:	N5C11H19 (1)
Stoich.:	A5B11C19 (1)
Weight, g/mol:	237.195346
ΔH_f, kcal/mol:	47.31
Dipole, Da:	4.42
IP(EA), eV:	-8.81(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCN)C1=NC=NC(=C1)NCC=C

DOS

IR

Vibrations