Geometry & MOs

Info

ID:	176645
PubChem CID:	76078943
Reduced:	ClN3O4C32H38 (1)
Stoich.:	AB3C4D32E38 (1)
Weight, g/mol:	278.101505
ΔH_f, kcal/mol:	-99.33
Dipole, Da:	3.28
IP(EA), eV:	-8.83(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-amino-N-(7-methoxy-2-oxo-4aH-quinazolin-4-yl)carbamate

Drug info:

PubChemData

Smile

CC(C(C1=CC=CC=C1)ONC(=O)C(CCCCCCl)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)NC

DOS

IR

Vibrations