Geometry & MOs

Info

ID:	255315
PubChem CID:	103131323
Reduced:	N3C12H19 (1)
Stoich.:	A3B12C19 (1)
Weight, g/mol:	225.184112
ΔH_f, kcal/mol:	34.36
Dipole, Da:	2.94
IP(EA), eV:	-9.0(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2CC3CCC2C3)N

DOS

IR

Vibrations