Geometry & MOs

Info

ID:	258937
PubChem CID:	103157477
Reduced:	ON4C9H16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	224.163711
ΔH_f, kcal/mol:	1.57
Dipole, Da:	7.22
IP(EA), eV:	-9.41(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propan-1-amine

Drug info:

PubChemData

Smile

COC(CC1=NN=C2N1CCC2)CN

DOS

IR

Vibrations