Geometry & MOs

Info

ID:	305464
PubChem CID:	124955689
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	328.164774
ΔH_f, kcal/mol:	14.6
Dipole, Da:	8.23
IP(EA), eV:	-9.36(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(N1)[C@H]2CCN(C2)C(=O)CN3C=CN=C3

DOS

IR

Vibrations