Geometry & MOs

Info

ID:	331299
PubChem CID:	127248706
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	444.196154
ΔH_f, kcal/mol:	14.98
Dipole, Da:	3.63
IP(EA), eV:	-8.12(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)CN2CCC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C)OC

DOS

IR

Vibrations