Geometry & MOs

Info

ID:	349312
PubChem CID:	127275099
Reduced:	NOC5H9 (3)
Stoich.:	ABC5D9 (3)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-154.59
Dipole, Da:	5.95
IP(EA), eV:	-8.85(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(C)C(=O)N2CCC(CC2)C(=O)N

DOS

IR

Vibrations