Geometry & MOs

Info

ID:	319895
PubChem CID:	126657507
Reduced:	N6C23H28 (1)
Stoich.:	A6B23C28 (1)
Weight, g/mol:	388.237545
ΔH_f, kcal/mol:	96.88
Dipole, Da:	8.82
IP(EA), eV:	-8.26(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-4-[3-methyl-4-[(2-methyl-2-pyrrolidin-1-ylpropyl)amino]phenyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=C3C=CN(C3=NC(=N2)C#N)C)NCCC4CCN(CC4)C

DOS

IR

Vibrations