Geometry & MOs

Info

ID:	141704
PubChem CID:	52918904
Reduced:	O3N11C30H49 (1)
Stoich.:	A3B11C30D49 (1)
Weight, g/mol:	327.115381
ΔH_f, kcal/mol:	-77.15
Dipole, Da:	10.32
IP(EA), eV:	-8.65(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylamino)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NC(=O)N(C=C3)CCC[C@H](CCCN=C(N)N)NCCCN

DOS

IR

Vibrations