Geometry & MOs

Info

ID:	331291
PubChem CID:	127248698
Reduced:	FON6C23H25 (1)
Stoich.:	ABC6D23E25 (1)
Weight, g/mol:	432.227374
ΔH_f, kcal/mol:	-2.32
Dipole, Da:	5.36
IP(EA), eV:	-9.01(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)N(C)C)C

DOS

IR

Vibrations