Geometry & MOs

Info

ID:	81545
PubChem CID:	49854849
Reduced:	N3C18H25 (1)
Stoich.:	A3B18C25 (1)
Weight, g/mol:	311.236148
ΔH_f, kcal/mol:	45.49
Dipole, Da:	2.53
IP(EA), eV:	-8.12(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C3=CC=C(C=C3)C45CC4CNC5

DOS

IR

Vibrations