Geometry & MOs

Info

ID:	333170
PubChem CID:	127251718
Reduced:	O3N5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	402.180424
ΔH_f, kcal/mol:	-34.52
Dipole, Da:	7.66
IP(EA), eV:	-9.42(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-aminopyrido[2,3-d]pyrimidin-7-yl)morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

C1COCCC1(C2=CC=CC=C2)C(=O)N3CCOC(C3)C4=NC5=NC=NC(=C5C=C4)N

DOS

IR

Vibrations