Geometry & MOs

Info

ID:	251356
PubChem CID:	103103395
Reduced:	N3O5C10H17 (1)
Stoich.:	A3B5C10D17 (1)
Weight, g/mol:	285.168856
ΔH_f, kcal/mol:	-223.47
Dipole, Da:	3.35
IP(EA), eV:	-10.09(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-amino-2-oxoethyl)-ethylcarbamoyl]amino]cycloheptane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)NC1(CCOC1)C(=O)O

DOS

IR

Vibrations