Geometry & MOs

Info

ID:	171996
PubChem CID:	75451256
Reduced:	ClSO2N3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	2.75
Dipole, Da:	3.7
IP(EA), eV:	-9.86(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-5-nitroquinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CNS(=O)(=O)C2=C(C=C(C=C2)C#N)Cl

DOS

IR

Vibrations