Geometry & MOs

Info

ID:	26963
PubChem CID:	806786
Reduced:	NO2H21C23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	331.105587
ΔH_f, kcal/mol:	2.65
Dipole, Da:	5.04
IP(EA), eV:	-8.81(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(4-methoxy-3-nitrophenyl)methoxy]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C(\C2=CC=CC=C2)/C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations