Geometry & MOs

Info

ID:	187826
PubChem CID:	77630903
Reduced:	N4O4C21H28 (1)
Stoich.:	A4B4C21D28 (1)
Weight, g/mol:	460.167747
ΔH_f, kcal/mol:	-135.37
Dipole, Da:	4.35
IP(EA), eV:	-9.32(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl N-[1-[6-fluoro-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-4aH-quinazolin-4-yl]pyrrolidin-3-yl]carbamate;hydrochloride

Drug info:

PubChemData

Smile

CC(C(=O)C1(C(=O)N(C2=CC=CC=C2N(C1=O)C)C)N)NC(=O)CC3CCCC3

DOS

IR

Vibrations