Geometry & MOs

Info

ID:	330144
PubChem CID:	127247131
Reduced:	SN4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	67.3
Dipole, Da:	2.64
IP(EA), eV:	-9.14(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyridine

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)CC3=CSC=N3

DOS

IR

Vibrations