Geometry & MOs

Info

ID:	189001
PubChem CID:	77801891
Reduced:	ON5C24H35 (1)
Stoich.:	AB5C24D35 (1)
Weight, g/mol:	415.202655
ΔH_f, kcal/mol:	-23.83
Dipole, Da:	2.82
IP(EA), eV:	-8.08(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CCCNC1=C(NC(=N1)C2(CCC(CC2)(C)O)C)C3=NCC(N3)CC4=CC=CC=C4

DOS

IR

Vibrations