Geometry & MOs

Info

ID:	246878
PubChem CID:	103065290
Reduced:	SN4C9H14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	288.140868
ΔH_f, kcal/mol:	16.99
Dipole, Da:	3.39
IP(EA), eV:	-8.62(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-propyl-4-N-(thiolan-3-yl)quinazoline-2,4-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC2CCSC2)N

DOS

IR

Vibrations