Geometry & MOs

Info

ID:	447202
PubChem CID:	135281138
Reduced:	FON7H16C21 (1)
Stoich.:	ABC7D16E21 (1)
Weight, g/mol:	366.03275
ΔH_f, kcal/mol:	72.03
Dipole, Da:	1.24
IP(EA), eV:	-9.1(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(6-bromoquinazolin-2-yl)amino]methyl]morpholine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)[C@@H](CO)NC2=NC=C3C=C(C=CC3=N2)C4=C5C=NNC5=NC=N4

DOS

IR

Vibrations