Geometry & MOs

Info

ID:	180497
PubChem CID:	76643642
Reduced:	NOC11H17 (1)
Stoich.:	ABC11D17 (1)
Weight, g/mol:	574.330777
ΔH_f, kcal/mol:	-51.92
Dipole, Da:	2.32
IP(EA), eV:	-8.23(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[3-(azetidin-1-yl)propyl]-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CCNC1=C(C(=C(C=C1C)C)O)C

DOS

IR

Vibrations