Geometry & MOs

Info

ID:	348857
PubChem CID:	127274505
Reduced:	N2O3C13H22 (1)
Stoich.:	A2B3C13D22 (1)
Weight, g/mol:	254.163043
ΔH_f, kcal/mol:	-152.0
Dipole, Da:	1.99
IP(EA), eV:	-9.21(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-(2-methyl-1,4-oxazepane-4-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)CN2CCCCC2=O

DOS

IR

Vibrations