Geometry & MOs

Info

ID:	195865
PubChem CID:	78743828
Reduced:	BrN3O3C19H29 (1)
Stoich.:	AB3C3D19E29 (1)
Weight, g/mol:	323.175953
ΔH_f, kcal/mol:	-116.03
Dipole, Da:	5.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.079265
Charge, e:	1

Chem-info

IUPAC name:

[2-(1H-indol-3-yl)-2-phenylethyl]-(1-methoxy-1-oxopropan-2-yl)azanium

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)Br)[NH2+]CC(=O)NC2CCN(CC2)C(=O)OCC

DOS

IR

Vibrations