Geometry & MOs

Info

ID:	416025
PubChem CID:	135089030
Reduced:	N3O4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	-121.27
Dipole, Da:	6.22
IP(EA), eV:	-10.0(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-imidazol-1-yl-N-[3-[(5-methylpyridin-2-yl)amino]propyl]butanamide

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)C)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations