Geometry & MOs

Info

ID:	319090
PubChem CID:	126654742
Reduced:	O2N5C24H27 (1)
Stoich.:	A2B5C24D27 (1)
Weight, g/mol:	420.160456
ΔH_f, kcal/mol:	5.36
Dipole, Da:	7.41
IP(EA), eV:	-8.9(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4S)-6-(4-chlorophenyl)-1,7-dimethyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]-3,3-dimethylbutan-2-one

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=CC=CC=C3C(=N[C@H]2CC(=O)NC)C4=CC=C(C=C4)OC(C)(C)C

DOS

IR

Vibrations