Geometry & MOs

Info

ID:	329439
PubChem CID:	126736738
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	253.215413
ΔH_f, kcal/mol:	-94.53
Dipole, Da:	0.58
IP(EA), eV:	-9.16(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-N-tert-butylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C(=O)NCC2C[C@H]3CC[C@@H](C2)N3CC(=O)NC(C)(C)C

DOS

IR

Vibrations