Geometry & MOs

Info

ID:	43827
PubChem CID:	10321850
Reduced:	ClN4O5H21C22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	456.061173
ΔH_f, kcal/mol:	-109.28
Dipole, Da:	5.43
IP(EA), eV:	-8.48(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C\3=CNN/C3=C\4/C=C(C(=CC4=O)O)Cl

DOS

IR

Vibrations