Geometry & MOs

Info

ID:	300492
PubChem CID:	121356169
Reduced:	SO2N3C14H23 (1)
Stoich.:	AB2C3D14E23 (1)
Weight, g/mol:	400.212393
ΔH_f, kcal/mol:	-70.02
Dipole, Da:	5.4
IP(EA), eV:	-8.32(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1CCCN(C1)C2=C(C=C(C=C2)N)S(=O)(=O)N(C)C

DOS

IR

Vibrations