Geometry & MOs

Info

ID:	218531
PubChem CID:	85089580
Reduced:	ClSN2O5C23H25 (1)
Stoich.:	ABC2D5E23F25 (1)
Weight, g/mol:	476.14633
ΔH_f, kcal/mol:	-163.66
Dipole, Da:	4.65
IP(EA), eV:	-8.77(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-3-[3-[4-(dimethylamino)phenyl]prop-2-enyl]-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol

Drug info:

PubChemData

Smile

CC(=O)OC1C(SC2=C(C=CC(=C2)Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC(=O)C

DOS

IR

Vibrations