Geometry & MOs

Info

ID:	344585
PubChem CID:	127268169
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	234.184447
ΔH_f, kcal/mol:	-39.03
Dipole, Da:	2.5
IP(EA), eV:	-9.05(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methylpyrrolidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

Drug info:

PubChemData

Smile

CC1CCN(C1)CC2=NOC(=N2)C3CCOCC3

DOS

IR

Vibrations