Geometry & MOs

Info

ID:	210052
PubChem CID:	80754082
Reduced:	N6C11H16 (1)
Stoich.:	A6B11C16 (1)
Weight, g/mol:	244.168797
ΔH_f, kcal/mol:	73.49
Dipole, Da:	4.96
IP(EA), eV:	-8.62(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-methyl-4-N-(3-methylbutan-2-yl)quinazoline-2,4-diamine

Drug info:

PubChemData

Smile

CNC1=CN=CC(=N1)NCCCN2C=CN=C2

DOS

IR

Vibrations