Geometry & MOs

Info

ID:	333099
PubChem CID:	127251647
Reduced:	O2S2N6C19H22 (1)
Stoich.:	A2B2C6D19E22 (1)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	7.05
Dipole, Da:	5.07
IP(EA), eV:	-9.0(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyridin-2-yl]morpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CC3=CSC(=N3)C)NC4=NN=C(S4)C

DOS

IR

Vibrations