Geometry & MOs

Info

ID:	332930
PubChem CID:	127251354
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	376.164774
ΔH_f, kcal/mol:	-30.12
Dipole, Da:	6.36
IP(EA), eV:	-9.19(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(2-aminopyrimidin-5-yl)-6-methylpyridin-2-yl]morpholin-4-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CCC(=O)N1CCOC(C1)C2=NC(=CC(=C2)C3=CN(N=C3)C)C

DOS

IR

Vibrations