Geometry & MOs

Info

ID:	313909
PubChem CID:	126618902
Reduced:	Cl2F3N3O5H26C27 (1)
Stoich.:	A2B3C3D5E26F27 (1)
Weight, g/mol:	303.137162
ΔH_f, kcal/mol:	-303.01
Dipole, Da:	5.53
IP(EA), eV:	-8.82(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-phenylmethoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CC(CC(=O)O)CN1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OCC4=C(C=CC=C4Cl)Cl.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations