Geometry & MOs

Info

ID:	230943
PubChem CID:	87572300
Reduced:	NO2C21H41 (2)
Stoich.:	AB2C21D41 (2)
Weight, g/mol:	311.118925
ΔH_f, kcal/mol:	-350.62
Dipole, Da:	4.21
IP(EA), eV:	-9.33(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-(4-methylphenyl)propan-2-yl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(=O)[C@H](CCCCN)N(C(=O)CCCCCCCCCCC)C(=O)CCCCCCCCCCC

DOS

IR

Vibrations