Geometry & MOs

Info

ID:	432529
PubChem CID:	135172662
Reduced:	O2C9H14 (4)
Stoich.:	A2B9C14 (4)
Weight, g/mol:	182.153147
ΔH_f, kcal/mol:	-390.94
Dipole, Da:	3.93
IP(EA), eV:	-8.97(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-butyl-6-methyl-1,4-dihydropyrimidine-4,5-diamine

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2CCC(CC2)C3CC(CC(C3)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO

DOS

IR

Vibrations