Geometry & MOs

Info

ID:	80099
PubChem CID:	49832946
Reduced:	N2O3F5C16H19 (1)
Stoich.:	A2B3C5D16E19 (1)
Weight, g/mol:	339.219829
ΔH_f, kcal/mol:	-380.06
Dipole, Da:	6.39
IP(EA), eV:	-9.92(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-8-methoxy-4-methyl-3-(4-phenylbutyl)-1,2,4,5-tetrahydro-3-benzazepin-5-ol

Drug info:

PubChemData

Smile

CC(=O)NC(CC[C@H](CNCC(F)(F)F)C1=C(C(=CC=C1)F)F)C(=O)O

DOS

IR

Vibrations