Geometry & MOs

Info

ID:	333233
PubChem CID:	127251782
Reduced:	ON6C21H24 (1)
Stoich.:	AB6C21D24 (1)
Weight, g/mol:	420.227374
ΔH_f, kcal/mol:	59.71
Dipole, Da:	2.64
IP(EA), eV:	-8.82(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN2CCOC(C2)C3=CN=CC(=N3)NC4=NC=CC=N4)C

DOS

IR

Vibrations