Geometry & MOs

Info

ID:	299189
PubChem CID:	117676779
Reduced:	BrO3N4C52H67 (1)
Stoich.:	AB3C4D52E67 (1)
Weight, g/mol:	273.220498
ΔH_f, kcal/mol:	-129.96
Dipole, Da:	5.61
IP(EA), eV:	-8.5(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-N,N-dimethylbutan-1-amine

Drug info:

PubChemData

Smile

CCCCCCCCN1C(=C)C2=C(C(=C3C4=C2C(=C(C(=C4C(=O)N(C3=O)CCCCCCCC)Br)NC5=CC=CC(=C5)C(C)(C)C)C1=O)C)NC6=CC=CC(=C6)C(C)(C)C

DOS

IR

Vibrations