Geometry & MOs

Info

ID:	418665
PubChem CID:	135106516
Reduced:	FO3N4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-119.85
Dipole, Da:	6.88
IP(EA), eV:	-9.43(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)C2=NN3CC(CNC(=O)C3=C2)O)C4=CC=C(C=C4)F

DOS

IR

Vibrations