Geometry & MOs

Info

ID:	18858
PubChem CID:	549455
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-87.11
Dipole, Da:	4.46
IP(EA), eV:	-8.75(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8,9-trimethoxy-1-methyl-4,5-dihydro-3H-2-benzazepine

Drug info:

PubChemData

Smile

CC1=NCCCC2=CC(=C(C(=C12)OC)OC)OC

DOS

IR

Vibrations