Geometry & MOs

Info

ID:	258285
PubChem CID:	103152561
Reduced:	OSN3C11H21 (1)
Stoich.:	ABC3D11E21 (1)
Weight, g/mol:	214.204513
ΔH_f, kcal/mol:	-22.24
Dipole, Da:	4.19
IP(EA), eV:	-9.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-4-(2-methylazepan-1-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CN(C)CCC(CN)OC

DOS

IR

Vibrations