Geometry & MOs

Info

ID:	44566
PubChem CID:	10504093
Reduced:	N2O3C29H34 (1)
Stoich.:	A2B3C29D34 (1)
Weight, g/mol:	458.27941
ΔH_f, kcal/mol:	-94.71
Dipole, Da:	3.15
IP(EA), eV:	-9.43(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[methyl-[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]-2-phenylethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)[C@@](C)(CC2=CC=CC=C2)NC(=O)O[C@@H](C3=CC=CC=C3)C(C)C

DOS

IR

Vibrations