Geometry & MOs

Info

ID:	345243
PubChem CID:	127269307
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-76.15
Dipole, Da:	2.5
IP(EA), eV:	-8.67(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=C(C3=CC=CC=C3C=C2)O)C(=O)N4CCN(CC4)C5CC5

DOS

IR

Vibrations