Geometry & MOs

Info

ID:	446213
PubChem CID:	135273179
Reduced:	FN2C20H39 (1)
Stoich.:	AB2C20D39 (1)
Weight, g/mol:	458.256943
ΔH_f, kcal/mol:	-120.56
Dipole, Da:	2.48
IP(EA), eV:	-8.22(2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4S)-6-(4-tert-butylphenyl)-8-methoxy-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]-3,3-dimethylbutan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)CC1CCC(CC1)(CN2CCN(CC2)C(C)(C)C)F

DOS

IR

Vibrations