Geometry & MOs

Info

ID:	336540
PubChem CID:	127255547
Reduced:	N2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	390.065031
ΔH_f, kcal/mol:	-74.22
Dipole, Da:	2.38
IP(EA), eV:	-10.59(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3,4-dichlorophenyl)-7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=NN=C(C=C1)C=O

DOS

IR

Vibrations