Geometry & MOs

Info

ID:	358319
PubChem CID:	127295864
Reduced:	ClO3N4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	384.241293
ΔH_f, kcal/mol:	-123.31
Dipole, Da:	6.58
IP(EA), eV:	-9.05(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC(=O)CCC2C(=O)N(C(=O)N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations