Geometry & MOs

Info

ID:	200589
PubChem CID:	79414414
Reduced:	BrNSO2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	244.193949
ΔH_f, kcal/mol:	-60.14
Dipole, Da:	6.52
IP(EA), eV:	-9.19(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2,3-dihydroindol-1-yl)-2-methylbutyl]cyclopropanamine

Drug info:

PubChemData

Smile

CC1C(S(=O)(=O)C2=C(C1NC)C=CC=C2Br)C

DOS

IR

Vibrations