Geometry & MOs

Info

ID:	404501
PubChem CID:	135066561
Reduced:	O4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-121.94
Dipole, Da:	5.53
IP(EA), eV:	-9.33(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6,8-dimethoxy-3-methyl-2,5-dihydro-1-benzazepine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@H](COC1=O)C=C=C(C)C2=CC=CC=C2

DOS

IR

Vibrations