Geometry & MOs

Info

ID:	62828
PubChem CID:	26737034
Reduced:	FOSN2H15C18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	-23.4
Dipole, Da:	5.61
IP(EA), eV:	-8.8(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(N=C(S2)C3=CC=CC=C3)C)F

DOS

IR

Vibrations