Geometry & MOs

Info

ID:	398182
PubChem CID:	135032174
Reduced:	ClNH14C23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	384.108562
ΔH_f, kcal/mol:	106.16
Dipole, Da:	0.92
IP(EA), eV:	-8.4(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5R)-6-acetyl-5-phenyl-5H-pyrrolo[1,2-c]quinazolin-3-yl]-2,2,2-trifluoroethanone

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)C(=C4C=CC=CC4=N3)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations