Geometry & MOs

Info

ID:	416082
PubChem CID:	135089090
Reduced:	O4N5C14H19 (1)
Stoich.:	A4B5C14D19 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-136.5
Dipole, Da:	6.55
IP(EA), eV:	-9.5(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-(6-methylpyridazin-3-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)CN3C(=O)CNC3=O

DOS

IR

Vibrations