Geometry & MOs

Info

ID:	37824
PubChem CID:	8024904
Reduced:	NOC13H26 (1)
Stoich.:	ABC13D26 (1)
Weight, g/mol:	379.208219
ΔH_f, kcal/mol:	-61.79
Dipole, Da:	1.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755126
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]thian-4-amine

Drug info:

PubChemData

Smile

C[C@H](C[NH2+][C@H]1CC[C@@H]2CCCC[C@H]2C1)O

DOS

IR

Vibrations