Geometry & MOs

Info

ID:	126720
PubChem CID:	50974780
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-175.26
Dipole, Da:	3.6
IP(EA), eV:	-9.82(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,4-dimethylphenoxy)-1-hydroxyethyl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)N2C[C@@H]3CN(C[C@@]3(C2)C(=O)O)C(=O)C4CC4

DOS

IR

Vibrations