Geometry & MOs

Info

ID:	344374
PubChem CID:	127267550
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-122.47
Dipole, Da:	6.46
IP(EA), eV:	-9.05(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)-2-oxoazepane-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(CCO1)C(=O)C2CCCCN(C2=O)C)C3=CC=CC=C3

DOS

IR

Vibrations