Geometry & MOs

Info

ID:	262756
PubChem CID:	103314508
Reduced:	ON5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	33.88
Dipole, Da:	7.65
IP(EA), eV:	-9.35(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-propylimidazol-1-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2NC(=O)C1N3C=NC(=N3)CN

DOS

IR

Vibrations