Geometry & MOs

Info

ID:	80257
PubChem CID:	49833756
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	-118.35
Dipole, Da:	4.61
IP(EA), eV:	-9.65(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-8-azabicyclo[3.2.1]octan-3-one

Drug info:

PubChemData

Smile

C1CC(=O)C[C@H]1C2=CC=C(C=C2)C(=O)N3CC[C@@H](C3)O

DOS

IR

Vibrations