Geometry & MOs

Info

ID:	258743
PubChem CID:	103156741
Reduced:	O2N4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	-75.73
Dipole, Da:	3.32
IP(EA), eV:	-9.26(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[1-(1H-imidazol-2-yl)ethyl]-3-methoxybutanamide

Drug info:

PubChemData

Smile

CCC(C1=NC=CN1)NC(=O)CC(CN)OC

DOS

IR

Vibrations