Geometry & MOs

Info

ID:	133729
PubChem CID:	51584064
Reduced:	O2N3C23H39 (1)
Stoich.:	A2B3C23D39 (1)
Weight, g/mol:	391.319878
ΔH_f, kcal/mol:	-73.26
Dipole, Da:	2.88
IP(EA), eV:	-8.46(0.02)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[3-[(2S)-7-methoxy-1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-azepan-1-ium]-4-yl]-2,2-dimethylpropyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC(C)(CN1CC2=C(C=CC(=C2)OC)O[C@]3(C1)CCCN(CC3)C)CN(C)C

DOS

IR

Vibrations