Geometry & MOs

Info

ID:	331430
PubChem CID:	127248837
Reduced:	FO2N6C23H25 (1)
Stoich.:	AB2C6D23E25 (1)
Weight, g/mol:	448.222289
ΔH_f, kcal/mol:	-36.11
Dipole, Da:	4.19
IP(EA), eV:	-8.82(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)N(C)C)C

DOS

IR

Vibrations