Geometry & MOs

Info

ID:	161070
PubChem CID:	57390670
Reduced:	ClSO2N7C25H28 (1)
Stoich.:	ABC2D7E25F28 (1)
Weight, g/mol:	392.257612
ΔH_f, kcal/mol:	47.65
Dipole, Da:	4.66
IP(EA), eV:	-8.28(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[butyl(ethyl)amino]-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NN4C(=CC=C4C5=CC=CC=C5N(C)S(=O)(=O)C)C=N3)Cl

DOS

IR

Vibrations