Geometry & MOs

Info

ID:	127114
PubChem CID:	50991147
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	529.230074
ΔH_f, kcal/mol:	-76.67
Dipole, Da:	7.67
IP(EA), eV:	-9.27(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidocyclohexyl)-4-[2-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CC4=CC=C(C=C4)/C=C/C(=O)NO

DOS

IR

Vibrations