Geometry & MOs

Info

ID:	329418
PubChem CID:	126736502
Reduced:	SN4O4C18H22 (1)
Stoich.:	AB4C4D18E22 (1)
Weight, g/mol:	621.439324
ΔH_f, kcal/mol:	-116.14
Dipole, Da:	4.36
IP(EA), eV:	-10.02(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethenylazepan-2-one;(2-nonylphenyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)C2=CC(=CC=C2)S(=O)(=O)NCC3CCN(CC3)C(=O)O

DOS

IR

Vibrations