Geometry & MOs

Info

ID:	331952
PubChem CID:	127250238
Reduced:	O3N4C25H28 (1)
Stoich.:	A3B4C25D28 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-49.97
Dipole, Da:	2.47
IP(EA), eV:	-8.82(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[(2,5-dimethoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CC2=CN=C(C=C2)C3CN(CCO3)C(=O)C4=CN=C(N=C4C)C

DOS

IR

Vibrations