Geometry & MOs

Info

ID:	127142
PubChem CID:	50992427
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	493.232519
ΔH_f, kcal/mol:	-83.74
Dipole, Da:	3.15
IP(EA), eV:	-8.91(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)N1CCN(CC1)CC2=CC=C(C=C2)/C=C/C(=O)NO

DOS

IR

Vibrations