Geometry & MOs

Info

ID:	445710
PubChem CID:	135269036
Reduced:	NC5H9 (4)
Stoich.:	AB5C9 (4)
Weight, g/mol:	469.177995
ΔH_f, kcal/mol:	2.56
Dipole, Da:	5.03
IP(EA), eV:	-7.8(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(9-methylpurin-6-yl)methyl]-2-(7-morpholin-4-ylquinazolin-4-yl)phenyl]phosphane

Drug info:

PubChemData

Smile

CCCN(C)C(=C)C1=C(N=C(N1CCC(C)C)CC(C)C)NC=C

DOS

IR

Vibrations