Geometry & MOs

Info

ID:	414972
PubChem CID:	135087952
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-37.31
Dipole, Da:	4.2
IP(EA), eV:	-8.62(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC(=NC=C2)N3C[C@H]([C@@H](C3)O)CC4=CC=CC=N4

DOS

IR

Vibrations