Geometry & MOs

Info

ID:	141847
PubChem CID:	52938270
Reduced:	N2C11H12 (2)
Stoich.:	A2B11C12 (2)
Weight, g/mol:	426.215472
ΔH_f, kcal/mol:	79.1
Dipole, Da:	4.91
IP(EA), eV:	-8.4(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCC2=CN3C=C(C=CC3=N2)C4=CC5=C(C=C4)NC=C5

DOS

IR

Vibrations