Geometry & MOs

Info

ID:	85398
PubChem CID:	49874738
Reduced:	O6C16H21 (2)
Stoich.:	A6B16C21 (2)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	-491.53
Dipole, Da:	2.72
IP(EA), eV:	-8.31(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-(2-methoxyphenyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H]([C@H](C(=O)OC(C)(C)C)OC(=O)CC1=CC(=C(C=C1)OC)OC)OC(=O)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations