Geometry & MOs

Info

ID:	346003
PubChem CID:	127270320
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	250.204513
ΔH_f, kcal/mol:	-54.56
Dipole, Da:	3.59
IP(EA), eV:	-8.29(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(cycloheptyl)methanone

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)NC2=CC3=C(C=C2)N=C(N3)N4CCOCC4

DOS

IR

Vibrations