Geometry & MOs

Info

ID:	318611
PubChem CID:	126652269
Reduced:	NO6C12H13 (1)
Stoich.:	AB6C12D13 (1)
Weight, g/mol:	515.205636
ΔH_f, kcal/mol:	-149.69
Dipole, Da:	5.12
IP(EA), eV:	-10.01(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(3S,3aR,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]phenyl]-6,7-dimethoxyquinazolin-4-amine

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H]2[C@H](O1)C(CO2)OC3=CC=C(C=C3)[N+](=O)[O-])O

DOS

IR

Vibrations