Geometry & MOs

Info

ID:	262757
PubChem CID:	103314539
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	0.14
Dipole, Da:	6.86
IP(EA), eV:	-9.01(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NC=CN1C2CCC3=CC=CC=C3NC2=O

DOS

IR

Vibrations