Geometry & MOs

Info

ID:	349358
PubChem CID:	127275145
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-112.43
Dipole, Da:	4.85
IP(EA), eV:	-8.66(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C

DOS

IR

Vibrations