Geometry & MOs

Info

ID:	267090
PubChem CID:	103580756
Reduced:	NSO3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	266.199428
ΔH_f, kcal/mol:	-85.38
Dipole, Da:	3.84
IP(EA), eV:	-9.24(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[(2-cyclopropyloxolan-3-yl)amino]ethanone

Drug info:

PubChemData

Smile

C1CC1C2C(CCO2)NCC(COCC3=CC=CS3)O

DOS

IR

Vibrations