Geometry & MOs

Info

ID:	143009
PubChem CID:	53131603
Reduced:	O2N5H19C23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	33.17
Dipole, Da:	1.39
IP(EA), eV:	-8.62(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-methoxypropyl)-4-oxo-7-phenylpyrrolo[3,2-d]pyrimidin-5-yl]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN1C=NC2=C(C1=O)N(C=C2C3=CC=CC=C3)CC(=O)NC4=CC=CC=C4C#N

DOS

IR

Vibrations