Geometry & MOs

Info

ID:	417648
PubChem CID:	135102385
Reduced:	N6O6C29H38 (1)
Stoich.:	A6B6C29D38 (1)
Weight, g/mol:	320.120403
ΔH_f, kcal/mol:	-163.69
Dipole, Da:	8.89
IP(EA), eV:	-8.75(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)N2CCOC3=C(C=CC(=C3)C4=NC=CN4CCNC(=O)[C@H](NC(=O)C2)C(C)C)OC

DOS

IR

Vibrations