Geometry & MOs

Info

ID:	46419
PubChem CID:	10524348
Reduced:	SN2O3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	388.262697
ΔH_f, kcal/mol:	-86.07
Dipole, Da:	4.66
IP(EA), eV:	-8.76(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-3-enyl-2,5,6-trimethyl-N-prop-2-enyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC(=CC=C2)OCCCNC(=O)CSCC3=CC=CO3

DOS

IR

Vibrations