Geometry & MOs

Info

ID:	333168
PubChem CID:	127251716
Reduced:	O3N6C24H26 (1)
Stoich.:	A3B6C24D26 (1)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	-28.57
Dipole, Da:	7.68
IP(EA), eV:	-8.23(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)morpholin-4-yl]-3-(6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)NC(=C2C)C(=O)N3CCOC(C3)C4=NC5=NC(=NC(=C5C=C4)N)C

DOS

IR

Vibrations