Geometry & MOs

Info

ID:	320040
PubChem CID:	126658065
Reduced:	NC13H17 (3)
Stoich.:	AB13C17 (3)
Weight, g/mol:	362.366099
ΔH_f, kcal/mol:	40.15
Dipole, Da:	2.23
IP(EA), eV:	-7.8(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2-tert-butylpyrrolidin-1-yl)-2,5-dimethylhexan-2-yl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

C1CCCCC2(CCC3(CCC(CCC1)(C4N3C2CCC4)C5=CC=CC=C5)CC6=CC=C(C=C6)N)C7=CC=C(C=C7)N

DOS

IR

Vibrations