Geometry & MOs

Info

ID:	282394
PubChem CID:	103925146
Reduced:	BrClNO2C12H17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-83.21
Dipole, Da:	2.31
IP(EA), eV:	-9.55(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxyhexyl 2-amino-3-methylbenzoate

Drug info:

PubChemData

Smile

CCC(CO)(CO)NCC1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations