Geometry & MOs

Info

ID:	437515
PubChem CID:	135226501
Reduced:	PO3C25H45 (1)
Stoich.:	AB3C25D45 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-219.73
Dipole, Da:	11.07
IP(EA), eV:	-7.41(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1-aminopropan-2-yloxy)-5-methylbenzoate

Drug info:

PubChemData

Smile

CCCCP(CCCC)(CCCC)(CCCC)OC1=CC(=CC(=C1)C(=O)OC)C

DOS

IR

Vibrations