Geometry & MOs

Info

ID:	333222
PubChem CID:	127251770
Reduced:	O3N6C16H20 (1)
Stoich.:	A3B6C16D20 (1)
Weight, g/mol:	408.190989
ΔH_f, kcal/mol:	-48.08
Dipole, Da:	4.54
IP(EA), eV:	-9.15(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(2,6-dimethoxyphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCOC(C1)C2=CN=CC(=N2)NC3=NC=CC=N3)O

DOS

IR

Vibrations