Geometry & MOs

Info

ID:	425767
PubChem CID:	135127900
Reduced:	O2N6C29H32 (1)
Stoich.:	A2B6C29D32 (1)
Weight, g/mol:	447.065365
ΔH_f, kcal/mol:	13.29
Dipole, Da:	5.9
IP(EA), eV:	-8.75(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-2-pyrrol-1-ylphenol

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1NC2=NC(=NC3=C2C=C(C=C3)OCC(=O)NC4CCCCC4)C5=CN=CC=C5)N

DOS

IR

Vibrations