Geometry & MOs

Info

ID:	43897
PubChem CID:	10321950
Reduced:	BrSO3N4H15C19 (1)
Stoich.:	ABC3D4E15F19 (1)
Weight, g/mol:	458.127631
ΔH_f, kcal/mol:	-9.92
Dipole, Da:	7.27
IP(EA), eV:	-8.63(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-6-methoxy-7-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)Br)/C=C/4\C(=O)N=C(N4)N

DOS

IR

Vibrations