Geometry & MOs

Info

ID:	141848
PubChem CID:	52938279
Reduced:	N2O5C24H30 (1)
Stoich.:	A2B5C24D30 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-134.05
Dipole, Da:	4.74
IP(EA), eV:	-8.35(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-8-methoxy-3,6-dihydro-2H-1,5-benzodiazocin-4-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(CCC(=O)N(C2)C3CC3)CC(C4=C(C=CC(=C4)OC)OC)O

DOS

IR

Vibrations