Geometry & MOs

Info

ID:	344214
PubChem CID:	127267390
Reduced:	NO2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-18.41
Dipole, Da:	3.85
IP(EA), eV:	-9.3(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7,8-dimethoxy-1,4-dimethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C=CC(=O)NCC1=CC2=C(C=C1)C=CO2

DOS

IR

Vibrations