Geometry & MOs

Info

ID:	349313
PubChem CID:	127275100
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	297.205242
ΔH_f, kcal/mol:	-149.43
Dipole, Da:	3.25
IP(EA), eV:	-8.65(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methyl-1,4-oxazepan-4-yl)propanoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(C)C(=O)N(C)CC2COC3=CC=CC=C3O2

DOS

IR

Vibrations