Geometry & MOs

Info

ID:	263215
PubChem CID:	103346483
Reduced:	ClON2S2C8H11 (1)
Stoich.:	ABC2D2E8F11 (1)
Weight, g/mol:	323.14899
ΔH_f, kcal/mol:	11.87
Dipole, Da:	2.15
IP(EA), eV:	-8.84(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C2=NOC(=N2)Cl)C

DOS

IR

Vibrations