Geometry & MOs

Info

ID:	283607
PubChem CID:	103992601
Reduced:	NOC6H13 (2)
Stoich.:	ABC6D13 (2)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-108.85
Dipole, Da:	4.97
IP(EA), eV:	-8.49(1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(1-benzylpyrazol-4-yl)methylamino]propoxy]ethanol

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1)NCCCOCCO

DOS

IR

Vibrations