Geometry & MOs

Info

ID:	200371
PubChem CID:	79377373
Reduced:	N3O4C14H25 (1)
Stoich.:	A3B4C14D25 (1)
Weight, g/mol:	296.209993
ΔH_f, kcal/mol:	-188.09
Dipole, Da:	7.96
IP(EA), eV:	-9.33(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(4-propylazepane-1-carbonyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCN(CC(=O)N(C)C)C(=O)N1CCC(C1C)C(=O)O

DOS

IR

Vibrations