Geometry & MOs

Info

ID:	294165
PubChem CID:	117429347
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	270.184447
ΔH_f, kcal/mol:	-15.76
Dipole, Da:	4.49
IP(EA), eV:	-8.75(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-methyl-5-[3-(4-methylpyrazol-1-yl)phenyl]pyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CN1CCC(C1)C2=CC(=CC=C2)C3(CCCC3)N=C=O

DOS

IR

Vibrations