Geometry & MOs

Info

ID:	133727
PubChem CID:	51584062
Reduced:	N2O3C23H36 (1)
Stoich.:	A2B3C23D36 (1)
Weight, g/mol:	391.319878
ΔH_f, kcal/mol:	-126.42
Dipole, Da:	1.29
IP(EA), eV:	-8.58(0.35)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[3-[(2R)-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)(CN1CCOCC1)CN2[C@@H]3CC[C@H]2CC(C3)(C4=CC=C(C=C4)OC)O

DOS

IR

Vibrations