Geometry & MOs

Info

ID:	201901
PubChem CID:	79601623
Reduced:	BrSN2C13H23 (1)
Stoich.:	ABC2D13E23 (1)
Weight, g/mol:	330.07653
ΔH_f, kcal/mol:	15.4
Dipole, Da:	1.43
IP(EA), eV:	-8.58(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-1-(4-bromothiophen-3-yl)-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=CSC=C1Br)C(C)(C)N(C)C

DOS

IR

Vibrations