Geometry & MOs

Info

ID:	306434
PubChem CID:	125011689
Reduced:	NC3H4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	321.125946
ΔH_f, kcal/mol:	43.52
Dipole, Da:	2.81
IP(EA), eV:	-8.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC2=CN=CN12)[C@@H]3CCCNC3

DOS

IR

Vibrations