Geometry & MOs

Info

ID:	204262
PubChem CID:	79936872
Reduced:	ClO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-68.86
Dipole, Da:	3.11
IP(EA), eV:	-8.65(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)cycloheptane-1-carbonitrile

Drug info:

PubChemData

Smile

CN1CC(=O)N(CC1=O)CC2=C(C=CC(=C2)N)Cl

DOS

IR

Vibrations