Geometry & MOs

Info

ID:	330085
PubChem CID:	127247072
Reduced:	SN4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	76.36
Dipole, Da:	3.19
IP(EA), eV:	-9.35(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrrol-2-yl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)CC3=CN=CS3

DOS

IR

Vibrations