Geometry & MOs

Info

ID:	294180
PubChem CID:	117431602
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	271.179696
ΔH_f, kcal/mol:	33.21
Dipole, Da:	4.88
IP(EA), eV:	-8.63(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-methyl-5-[3-(4-methyltriazol-2-yl)phenyl]pyrrolidin-3-yl]methanamine

Drug info:

PubChemData

Smile

CN1CCCC(CC1)C2=CC=C(C=C2)C3=C(ON=C3)N

DOS

IR

Vibrations