Geometry & MOs

Info

ID:	176445
PubChem CID:	76050339
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-82.88
Dipole, Da:	6.51
IP(EA), eV:	-8.86(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxo-2-pyridin-3-yl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC2C(S1)NC(NC2=O)C3=CC=C(C=C3)N4CCOC4=O

DOS

IR

Vibrations