Geometry & MOs

Info

ID:	333845
PubChem CID:	127252397
Reduced:	N5C16H23 (1)
Stoich.:	A5B16C23 (1)
Weight, g/mol:	309.125946
ΔH_f, kcal/mol:	62.55
Dipole, Da:	2.39
IP(EA), eV:	-8.67(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(1-methylimidazol-4-yl)sulfonyl-3-(1H-pyrazol-5-yl)piperidine

Drug info:

PubChemData

Smile

CC1(CCCN(C1)CC2=C(N=CC=C2)NC)C3=CC=NN3

DOS

IR

Vibrations