Geometry & MOs

Info

ID:	361713
PubChem CID:	127304528
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-78.63
Dipole, Da:	5.19
IP(EA), eV:	-9.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)CCC3=C(NC(=O)C(=C3C)C#N)C)C

DOS

IR

Vibrations