Geometry & MOs

Info

ID:	407156
PubChem CID:	135079448
Reduced:	N3O4C10H16 (1)
Stoich.:	A3B4C10D16 (1)
Weight, g/mol:	269.137556
ΔH_f, kcal/mol:	-127.11
Dipole, Da:	3.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758978
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-diazonio-3-(2,2-diethyl-1,3-oxazinan-3-yl)-1-methoxy-3-oxoprop-1-en-1-olate

Drug info:

PubChemData

Smile

CC1(N(CCCO1)C(=O)/C(=C(\O)/OC)/[N+]#N)C

DOS

IR

Vibrations