Geometry & MOs

Info

ID:	255784
PubChem CID:	103134719
Reduced:	N5C14H23 (1)
Stoich.:	A5B14C23 (1)
Weight, g/mol:	239.145619
ΔH_f, kcal/mol:	57.21
Dipole, Da:	3.04
IP(EA), eV:	-8.96(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrazol-3-yl)-(2-methylthiolan-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)C(C2=NN(C=C2)C)NCC)CC

DOS

IR

Vibrations