Geometry & MOs

Info

ID:	155950
PubChem CID:	56368458
Reduced:	NO2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	485.231456
ΔH_f, kcal/mol:	-65.77
Dipole, Da:	4.83
IP(EA), eV:	-8.85(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidin-2-yl]-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)CN(C)C(=O)C1=C(C=CC(=C1)CC2=CC=CC=C2)O

DOS

IR

Vibrations