Geometry & MOs

Info

ID:	447204
PubChem CID:	135281154
Reduced:	ClON7H24C26 (1)
Stoich.:	ABC7D24E26 (1)
Weight, g/mol:	358.00654
ΔH_f, kcal/mol:	93.7
Dipole, Da:	0.48
IP(EA), eV:	-8.76(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[(3-nitrophenyl)methyl]quinazolin-2-amine

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Cl)NC2=NC=C3C=C(C=CC3=N2)C4=C5C=NN(C5=NC=N4)C6CCCCO6

DOS

IR

Vibrations