Geometry & MOs

Info

ID:	442336
PubChem CID:	135251413
Reduced:	N3O4C12H23 (1)
Stoich.:	A3B4C12D23 (1)
Weight, g/mol:	275.175566
ΔH_f, kcal/mol:	-197.21
Dipole, Da:	11.28
IP(EA), eV:	-8.92(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(dimethylamino)-6-(oxo(113C)methylamino)(613C)hexanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CN(C)C(CCCCN[13CH]=O)C(=O)N[13CH2]CC(=O)O

DOS

IR

Vibrations