Geometry & MOs

Info

ID:	320104
PubChem CID:	126658242
Reduced:	FN4C27H35 (1)
Stoich.:	AB4C27D35 (1)
Weight, g/mol:	376.38175
ΔH_f, kcal/mol:	-21.52
Dipole, Da:	2.05
IP(EA), eV:	-8.64(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-2-[5-[(2S)-2-tert-butylpyrrolidin-1-yl]-2-methylhexan-2-yl]-2-azabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(N1)C=C(C(=C2)F)C(C)CC(C)(C)C3=NC4=C(N3)C=C(C=C4)C(C)(C)C

DOS

IR

Vibrations