Geometry & MOs

Info

ID:	317783
PubChem CID:	126645748
Reduced:	NO2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	341.126323
ΔH_f, kcal/mol:	-107.59
Dipole, Da:	2.55
IP(EA), eV:	-8.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-1,4-benzoxazine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NO)OC(C2=O)(C)C)C

DOS

IR

Vibrations