Geometry & MOs

Info

ID:	122996
PubChem CID:	50829636
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	465.256232
ΔH_f, kcal/mol:	-96.93
Dipole, Da:	3.87
IP(EA), eV:	-8.55(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-7-phenyl-4-piperidin-1-yl-N-(3-propylsulfanylpropyl)pyrrolo[2,3-d]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=O)N4CCCCC4C2=O)C

DOS

IR

Vibrations