Geometry & MOs

Info

ID:	348851
PubChem CID:	127274499
Reduced:	N3O4C19H27 (1)
Stoich.:	A3B4C19D27 (1)
Weight, g/mol:	354.251858
ΔH_f, kcal/mol:	-146.57
Dipole, Da:	6.53
IP(EA), eV:	-9.66(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1,6-bis(2-methyl-1,4-oxazepan-4-yl)hexane-1,6-dione

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CN=C(C=C2)C(=O)N3CCCOC(C3)C

DOS

IR

Vibrations