Geometry & MOs

Info

ID:	217753
PubChem CID:	85088327
Reduced:	O4N7H17C18 (1)
Stoich.:	A4B7C17D18 (1)
Weight, g/mol:	395.173273
ΔH_f, kcal/mol:	108.13
Dipole, Da:	13.2
IP(EA), eV:	-8.74(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-methyl-3-phenyl-6-(2-phenylethenyl)oxazinane-4,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])N(C=C2)NC

DOS

IR

Vibrations