Geometry & MOs

Info

ID:	62873
PubChem CID:	26737401
Reduced:	O4N5H21C24 (1)
Stoich.:	A4B5C21D24 (1)
Weight, g/mol:	468.179755
ΔH_f, kcal/mol:	-43.13
Dipole, Da:	4.0
IP(EA), eV:	-8.21(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4N=N3

DOS

IR

Vibrations