Geometry & MOs

Info

ID:	258276
PubChem CID:	103152496
Reduced:	ON3C15H31 (1)
Stoich.:	AB3C15D31 (1)
Weight, g/mol:	241.215413
ΔH_f, kcal/mol:	-65.75
Dipole, Da:	3.24
IP(EA), eV:	-8.47(2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methoxybutan-1-amine

Drug info:

PubChemData

Smile

COC(CCN1CCC(CC1)CN2CCCC2)CN

DOS

IR

Vibrations