Geometry & MOs

Info

ID:	127119
PubChem CID:	50991211
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	495.228183
ΔH_f, kcal/mol:	-9.33
Dipole, Da:	8.0
IP(EA), eV:	-8.86(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)-4-[2-(cyclopropylmethoxy)-4-fluoro-5-methoxyphenyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N(C)C1=NC2=C(C=CC(=C2)C(=O)O)N=C1C3=CC=CC=C3

DOS

IR

Vibrations