Geometry & MOs

Info

ID:	331466
PubChem CID:	127248873
Reduced:	O2N6C23H28 (1)
Stoich.:	A2B6C23D28 (1)
Weight, g/mol:	423.22704
ΔH_f, kcal/mol:	28.7
Dipole, Da:	6.66
IP(EA), eV:	-8.86(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-(3,6-dihydro-2H-pyran-5-ylmethyl)morpholin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations