Geometry & MOs

Info

ID:	357907
PubChem CID:	127295407
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	359.268511
ΔH_f, kcal/mol:	10.71
Dipole, Da:	5.63
IP(EA), eV:	-9.31(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1C(=NN=C1C2=CC=CC=C2)CN3CCCN(CC3)C(=O)CC4CCCC4

DOS

IR

Vibrations