Geometry & MOs

Info

ID:	415038
PubChem CID:	135088024
Reduced:	NO2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-159.92
Dipole, Da:	6.51
IP(EA), eV:	-9.59(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-[4-(2-pyridin-4-ylacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CCC(=O)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations