Geometry & MOs

Info

ID:	255847
PubChem CID:	103135167
Reduced:	N5C11H17 (1)
Stoich.:	A5B11C17 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	75.06
Dipole, Da:	3.04
IP(EA), eV:	-8.69(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-(furan-2-yl)-1-(1-methylpyrazol-3-yl)propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(C2=NN(C=C2)C)NC

DOS

IR

Vibrations