Geometry & MOs

Info

ID:	350934
PubChem CID:	127279222
Reduced:	N4C13H22 (1)
Stoich.:	A4B13C22 (1)
Weight, g/mol:	248.200097
ΔH_f, kcal/mol:	15.48
Dipole, Da:	6.71
IP(EA), eV:	-8.96(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCCN1CC2=NN=C3N2CCCC3)C

DOS

IR

Vibrations