Geometry & MOs

Info

ID:	350793
PubChem CID:	127279081
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	-134.22
Dipole, Da:	7.3
IP(EA), eV:	-9.21(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,2-dimethylpyrrolidin-1-yl)-2-oxoethyl]azepan-2-one

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C2=CC3=C(CCCC3=O)NC2=O)C

DOS

IR

Vibrations