Geometry & MOs

Info

ID:	263848
PubChem CID:	103401327
Reduced:	N3O3C14H27 (1)
Stoich.:	A3B3C14D27 (1)
Weight, g/mol:	321.070261
ΔH_f, kcal/mol:	-102.51
Dipole, Da:	1.85
IP(EA), eV:	-9.01(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one

Drug info:

PubChemData

Smile

CCC(C(C1=CN(N=C1)C)OCCCOCCOC)N

DOS

IR

Vibrations