Geometry & MOs

Info

ID:	331827
PubChem CID:	127250113
Reduced:	O2N5C26H31 (1)
Stoich.:	A2B5C26D31 (1)
Weight, g/mol:	449.222703
ΔH_f, kcal/mol:	-26.71
Dipole, Da:	5.2
IP(EA), eV:	-9.12(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-[2-[6-[(4-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2=NC(=CC=C2)C3CN(CCO3)C(=O)CCNC4=NC(=CC(=N4)C)C

DOS

IR

Vibrations