Geometry & MOs

Info

ID:	224348
PubChem CID:	85341946
Reduced:	NSO3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	355.214744
ΔH_f, kcal/mol:	-81.75
Dipole, Da:	8.46
IP(EA), eV:	-8.58(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)methylamino]-3-phenoxypropan-2-ol

Drug info:

PubChemData

Smile

CC(CSC1=CC=CC=C1)C(=O)N2C(COC2=O)CC3=CC=CC=C3

DOS

IR

Vibrations