Geometry & MOs

Info

ID:	331374
PubChem CID:	127248781
Reduced:	O2N5C25H29 (1)
Stoich.:	A2B5C25D29 (1)
Weight, g/mol:	421.191403
ΔH_f, kcal/mol:	-1.31
Dipole, Da:	4.12
IP(EA), eV:	-8.75(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-2-pyridin-2-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)C(=O)N)N(C)C

DOS

IR

Vibrations