Geometry & MOs

Info

ID:	44322
PubChem CID:	10502757
Reduced:	ON8C23H26 (1)
Stoich.:	AB8C23D26 (1)
Weight, g/mol:	430.24811
ΔH_f, kcal/mol:	124.1
Dipole, Da:	2.29
IP(EA), eV:	-8.68(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-phenyl-2-[[(3S)-1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methylamino]ethanol

Drug info:

PubChemData

Smile

CCN(C1=C(C=CC=N1)NC(=O)NC2=C(N=CC=C2)N(CC)N3C=CC=C3)N4C=CC=C4

DOS

IR

Vibrations