Geometry & MOs

Info

ID:	143234
PubChem CID:	53170098
Reduced:	O2N5H17C19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	87.8
Dipole, Da:	5.04
IP(EA), eV:	-9.15(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)C3=NOC(=N3)C4=CC(=CC=C4)OC)C

DOS

IR

Vibrations