Geometry & MOs

Info

ID:	123193
PubChem CID:	50836790
Reduced:	SN4O4H16C18 (1)
Stoich.:	AB4C4D16E18 (1)
Weight, g/mol:	461.161853
ΔH_f, kcal/mol:	-41.55
Dipole, Da:	8.18
IP(EA), eV:	-8.38(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-(4-morpholin-4-yl-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl)acetamide

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)N2CC(CC2=O)C3=NN=C(O3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations