Geometry & MOs

Info

ID:	194322
PubChem CID:	78515824
Reduced:	O2N3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	373.131408
ΔH_f, kcal/mol:	-26.45
Dipole, Da:	1.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754721
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(2-ethoxynaphthalen-1-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CNC(=O)C2CC3=CC=CC=C3C[NH2+]2

DOS

IR

Vibrations