Geometry & MOs

Info

ID:	435601
PubChem CID:	135191911
Reduced:	BrNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	360.14337
ΔH_f, kcal/mol:	-17.73
Dipole, Da:	5.12
IP(EA), eV:	-8.5(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3R)-7-(3-methyl-1,2,4-oxadiazol-5-yl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]carbamate

Drug info:

PubChemData

Smile

CNC1=C(C=C(C=C1)Br)CCCC=O

DOS

IR

Vibrations