Geometry & MOs

Info

ID:	163004
PubChem CID:	57581337
Reduced:	N2O4C31H32 (1)
Stoich.:	A2B4C31D32 (1)
Weight, g/mol:	267.123249
ΔH_f, kcal/mol:	-74.16
Dipole, Da:	4.74
IP(EA), eV:	-8.41(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(3-ethoxyphenyl)-4,4-dimethoxybutanoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=C(N(C=C2)CC3=CC=CC=C3)C4=CC=CC=C4)OCC

DOS

IR

Vibrations