Geometry & MOs

Info

ID:	166248
PubChem CID:	74656426
Reduced:	ClFN3O3C21H21 (1)
Stoich.:	ABC3D3E21F21 (1)
Weight, g/mol:	389.096476
ΔH_f, kcal/mol:	-63.96
Dipole, Da:	3.73
IP(EA), eV:	-8.91(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-chloro-4-oxo-4aH-quinazolin-2-yl)methyl]-5-ethyl-N-propylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC1=NC(=O)C2C=CC(=CC2=N1)Cl)C(=O)CCOC3=CC=CC=C3F

DOS

IR

Vibrations