Geometry & MOs

Info

ID:	180499
PubChem CID:	76644010
Reduced:	O3N4C24H32 (1)
Stoich.:	A3B4C24D32 (1)
Weight, g/mol:	486.299476
ΔH_f, kcal/mol:	-49.56
Dipole, Da:	2.1
IP(EA), eV:	-9.17(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(3-aminopropyl)-2-oxo-1-(2-phenylbutyl)-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CN(C(=O)CC1C(=O)N(CCC(N1)CN)CC(C2=CC=CC=C2)C3=CC=CC=C3)OC

DOS

IR

Vibrations