Geometry & MOs

Info

ID:	349314
PubChem CID:	127275101
Reduced:	NOC5H9 (3)
Stoich.:	ABC5D9 (3)
Weight, g/mol:	342.139113
ΔH_f, kcal/mol:	-151.46
Dipole, Da:	4.74
IP(EA), eV:	-8.69(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methyl-1,4-oxazepan-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(C)C(=O)N2CCCC(C2)C(=O)N

DOS

IR

Vibrations