Geometry & MOs

Info

ID:	443641
PubChem CID:	135259630
Reduced:	NO5C24H25 (1)
Stoich.:	AB5C24D25 (1)
Weight, g/mol:	321.136493
ΔH_f, kcal/mol:	-134.98
Dipole, Da:	6.36
IP(EA), eV:	-8.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-2-yl)chromen-2-one

Drug info:

PubChemData

Smile

C/C=C/CCCC(=O)OC1=C(C=CC(=C1)N(C)C2=CC(=O)OC3=CC=CC=C32)OC

DOS

IR

Vibrations