Geometry & MOs

Info

ID:	326124
PubChem CID:	126686604
Reduced:	O2N7C29H29 (1)
Stoich.:	A2B7C29D29 (1)
Weight, g/mol:	231.056529
ΔH_f, kcal/mol:	62.13
Dipole, Da:	9.4
IP(EA), eV:	-9.12(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-propoxybenzenesulfonic acid

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)C=CC=N2)N(CCCNC(=O)OC3=CN=NC4=CC=CC=C43)CC5=NC6=CC=CC=C6N5

DOS

IR

Vibrations