Geometry & MOs

Info

ID:	231879
PubChem CID:	87574842
Reduced:	ON3C32H37 (1)
Stoich.:	AB3C32D37 (1)
Weight, g/mol:	373.152537
ΔH_f, kcal/mol:	40.22
Dipole, Da:	1.64
IP(EA), eV:	-8.24(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyloxetan-3-yl)methyl 2-(4-methoxy-1-nitro-5-phenylcyclohexa-2,4-dien-1-yl)acetate

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=C1)[C@]3(CCC2)CN(C[C@H]3C=O)N4CC[C@@H](C[C@@H]4C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations