Geometry & MOs

Info

ID:	237841
PubChem CID:	92721922
Reduced:	ON2H12C13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	471.263425
ΔH_f, kcal/mol:	18.01
Dipole, Da:	3.82
IP(EA), eV:	-8.72(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-3-(azepan-1-yl)butyl]-4-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C[C@@]1(CN2C3=CC=CC=C3C=C2C(=O)N1CC4=CN=CC=C4)C(=O)NCC5=CC=CC=C5

DOS

IR

Vibrations