Geometry & MOs

Info

ID:	422451
PubChem CID:	135117850
Reduced:	OSN4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	355.212058
ΔH_f, kcal/mol:	27.96
Dipole, Da:	7.49
IP(EA), eV:	-8.43(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)N3C[C@H]([C@@H](C3)O)CC4=CC=CC=N4)C

DOS

IR

Vibrations