Geometry & MOs

Info

ID:	146654
PubChem CID:	53725588
Reduced:	NOC20H26 (1)
Stoich.:	ABC20D26 (1)
Weight, g/mol:	365.126323
ΔH_f, kcal/mol:	18.57
Dipole, Da:	2.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757800
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(4-benzoyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-oxopent-4-enoate

Drug info:

PubChemData

Smile

C[N+](C)(CCCC1C2=CC=CC=C2CCC3=CC=CC=C13)O

DOS

IR

Vibrations