Geometry & MOs

Info

ID:	447199
PubChem CID:	135281108
Reduced:	ClPN3O6C30H43 (1)
Stoich.:	ABC3D6E30F43 (1)
Weight, g/mol:	391.154544
ΔH_f, kcal/mol:	-252.11
Dipole, Da:	17.43
IP(EA), eV:	-8.62(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1-phenylethylamino)quinazolin-6-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)P(=O)(CCC(=O)NCCOCCOCCCCCCCl)[O-]

DOS

IR

Vibrations