Geometry & MOs

Info

ID:	204305
PubChem CID:	79944402
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	206.105528
ΔH_f, kcal/mol:	-39.44
Dipole, Da:	1.06
IP(EA), eV:	-9.81(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-prop-2-ynyl-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione

Drug info:

PubChemData

Smile

C#CCN1CC(=O)N2CCCC2C1=O

DOS

IR

Vibrations