Geometry & MOs

Info

ID:	331290
PubChem CID:	127248697
Reduced:	O3N6C24H26 (1)
Stoich.:	A3B6C24D26 (1)
Weight, g/mol:	420.207388
ΔH_f, kcal/mol:	-43.27
Dipole, Da:	8.74
IP(EA), eV:	-9.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(2,4-dimethylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)C(=O)N)N(C)C

DOS

IR

Vibrations