Geometry & MOs

Info

ID:	435881
PubChem CID:	135192663
Reduced:	N2O5H14C18 (1)
Stoich.:	A2B5C14D18 (1)
Weight, g/mol:	407.209658
ΔH_f, kcal/mol:	-48.9
Dipole, Da:	5.76
IP(EA), eV:	-9.32(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(E)-hex-1-enyl]-4-(4-methoxybenzoyl)-2-propan-2-yl-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=CC=CC(=C2O1)C=C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations