Geometry & MOs

Info

ID:	331302
PubChem CID:	127248709
Reduced:	FO2N4C26H29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	448.227454
ΔH_f, kcal/mol:	-56.42
Dipole, Da:	1.76
IP(EA), eV:	-8.92(-0.44)
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]-[4-(ethoxymethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)F)N(C)C

DOS

IR

Vibrations