Geometry & MOs

Info

ID:	388057
PubChem CID:	134987994
Reduced:	ClNOH8C9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	185.141579
ΔH_f, kcal/mol:	-5.96
Dipole, Da:	4.71
IP(EA), eV:	-9.98(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-butoxyazepan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)N2)Cl

DOS

IR

Vibrations