Geometry & MOs

Info

ID:	170745
PubChem CID:	75274700
Reduced:	O11C25H34 (1)
Stoich.:	A11B25C34 (1)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	-450.26
Dipole, Da:	5.23
IP(EA), eV:	-8.57(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7,8-dimethoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-4-carboxylate

Drug info:

PubChemData

Smile

C1CC(C(C2C1C(=O)C(=CO2)C3=CC=C(C=C3)OCCO)C4C(C(C(C(O4)CO)O)O)O)OCCO

DOS

IR

Vibrations