Geometry & MOs

Info

ID:	79752
PubChem CID:	49830257
Reduced:	OSN4H20C21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	372.195011
ΔH_f, kcal/mol:	72.9
Dipole, Da:	3.44
IP(EA), eV:	-8.02(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1N=C(N=C2NCC3=CC=CC=C3)NCC4=CC=CS4

DOS

IR

Vibrations