Geometry & MOs

Info

ID:	185676
PubChem CID:	77329725
Reduced:	NO3C14H17 (2)
Stoich.:	AB3C14D17 (2)
Weight, g/mol:	458.27941
ΔH_f, kcal/mol:	-193.99
Dipole, Da:	4.12
IP(EA), eV:	-8.71(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-2-[[3-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]propan-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=C(C=C1)OC2CCN(C2)C(=O)OCC=C)OC3=CC4=C(CCN(C4)C)C=C3

DOS

IR

Vibrations