Geometry & MOs

Info

ID:	201911
PubChem CID:	79603723
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	294.176585
ΔH_f, kcal/mol:	-72.05
Dipole, Da:	3.52
IP(EA), eV:	-8.25(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(propylamino)ethyl]-5-(1,4-thiazepan-4-yl)phenol

Drug info:

PubChemData

Smile

CCCNC(C)C1=C(C=C(C=C1)N(CCO)C2CC2)O

DOS

IR

Vibrations