Geometry & MOs

Info

ID:	292021
PubChem CID:	114143237
Reduced:	ClON5C11H18 (1)
Stoich.:	ABC5D11E18 (1)
Weight, g/mol:	255.194677
ΔH_f, kcal/mol:	-42.04
Dipole, Da:	1.92
IP(EA), eV:	-8.54(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butoxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)NC(C)(C)CC(=O)N)Cl

DOS

IR

Vibrations