Geometry & MOs

Info

ID:	126082
PubChem CID:	50950728
Reduced:	ON6C21H28 (1)
Stoich.:	AB6C21D28 (1)
Weight, g/mol:	251.199762
ΔH_f, kcal/mol:	50.96
Dipole, Da:	5.91
IP(EA), eV:	-8.71(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)propan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2C=CC=N2)CN3CCC(CC3)CC4=NN=C(N4C)CO

DOS

IR

Vibrations