Geometry & MOs

Info

ID:	256018
PubChem CID:	103136385
Reduced:	BrSN2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	80.17
Dipole, Da:	5.06
IP(EA), eV:	-9.11(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(5-methyloxolan-2-yl)methyl]indol-7-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(C2=CC=CC3=C2C=NC=C3)N)Br

DOS

IR

Vibrations