Geometry & MOs

Info

ID:	358323
PubChem CID:	127295868
Reduced:	N2O3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-109.89
Dipole, Da:	5.61
IP(EA), eV:	-9.13(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-(1H-imidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3O

DOS

IR

Vibrations