Geometry & MOs

Info

ID:	17347
PubChem CID:	493728
Reduced:	N5H13C15 (1)
Stoich.:	A5B13C15 (1)
Weight, g/mol:	263.117095
ΔH_f, kcal/mol:	104.95
Dipole, Da:	3.4
IP(EA), eV:	-8.89(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-7-(1-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2C=C(C3=C(N=CN=C32)N)C#N

DOS

IR

Vibrations