Geometry & MOs

Info

ID:	333174
PubChem CID:	127251722
Reduced:	ClO2N5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-18.14
Dipole, Da:	4.5
IP(EA), eV:	-9.18(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)morpholin-4-yl]-(2-methoxy-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=C2C=CC(=NC2=N1)C3CN(CCO3)C(=O)CCC4=CC(=CC=C4)Cl)N

DOS

IR

Vibrations