Geometry & MOs

Info

ID:	354584
PubChem CID:	127287198
Reduced:	ON5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	263.17461
ΔH_f, kcal/mol:	-35.3
Dipole, Da:	4.98
IP(EA), eV:	-9.42(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]azetidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)N[C@H](C)C2=NN=C3N2CCCCC3

DOS

IR

Vibrations