Geometry & MOs

Info

ID:	359642
PubChem CID:	127298916
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	288.150764
ΔH_f, kcal/mol:	-129.03
Dipole, Da:	2.36
IP(EA), eV:	-8.7(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylcyclopentyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3CCC4(CC3)C(=O)NC(=O)N4

DOS

IR

Vibrations