Geometry & MOs

Info

ID:	331487
PubChem CID:	127248894
Reduced:	O4N5C22H29 (1)
Stoich.:	A4B5C22D29 (1)
Weight, g/mol:	386.206639
ΔH_f, kcal/mol:	-113.22
Dipole, Da:	6.22
IP(EA), eV:	-8.87(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]morpholin-4-yl]-2-methoxy-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCOC(C1)C2=NC(=NC=C2C3=CC=C(C=C3)C(=O)N)N(C)C)OC

DOS

IR

Vibrations