Geometry & MOs

Info

ID:	283330
PubChem CID:	103975452
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	236.200097
ΔH_f, kcal/mol:	-40.72
Dipole, Da:	5.49
IP(EA), eV:	-8.65(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1CCN(C1)CC2=CC=C(C=C2)NC(=O)C)N

DOS

IR

Vibrations