Geometry & MOs

Info

ID:	161075
PubChem CID:	57390683
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-48.92
Dipole, Da:	1.43
IP(EA), eV:	-8.35(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-methylanilino)methyl]-4-propyl-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CCCN1C(=O)COC2=C1C=CC(=C2)CNC3=CC=CC(=C3)C

DOS

IR

Vibrations