Geometry & MOs

Info

ID:	214165
PubChem CID:	81087177
Reduced:	OSN2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	230.199428
ΔH_f, kcal/mol:	-43.71
Dipole, Da:	2.07
IP(EA), eV:	-9.06(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)pentanamide

Drug info:

PubChemData

Smile

CCC1C2=C(CCN1C(=O)CC(C)CN)SC=C2

DOS

IR

Vibrations