Geometry & MOs

Info

ID:	133730
PubChem CID:	51584065
Reduced:	O2N3C23H41 (1)
Stoich.:	A2B3C23D41 (1)
Weight, g/mol:	389.304228
ΔH_f, kcal/mol:	55.27
Dipole, Da:	3.53
IP(EA), eV:	-2.22(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-7-methoxy-1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-azepane]-4-yl]-N,N,2,2-tetramethylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CN1CC2=C(C=CC(=C2)OC)O[C@@]3(C1)CCC[NH+](CC3)C)C[NH+](C)C

DOS

IR

Vibrations