Geometry & MOs

Info

ID:	435606
PubChem CID:	135191936
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	-42.07
Dipole, Da:	6.34
IP(EA), eV:	-9.52(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-3-(phenoxymethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(C1=CN(C=N1)CC2=CC=CC=C2)O

DOS

IR

Vibrations