Geometry & MOs

Info

ID:	149307
PubChem CID:	53788979
Reduced:	O4C25H32 (1)
Stoich.:	A4B25C32 (1)
Weight, g/mol:	295.141973
ΔH_f, kcal/mol:	-140.07
Dipole, Da:	2.96
IP(EA), eV:	-8.61(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[2-(aminomethyl)-3-methoxyphenyl]methyl]butanedioate

Drug info:

PubChemData

Smile

CCCCCC(=CC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations