Geometry & MOs

Info

ID:	55437
PubChem CID:	17395397
Reduced:	SN3O3H17C19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	335.152144
ΔH_f, kcal/mol:	-39.88
Dipole, Da:	3.84
IP(EA), eV:	-9.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC3=COC(=N3)C4=CC=CS4)C

DOS

IR

Vibrations