Geometry & MOs

Info

ID:	370771
PubChem CID:	127340551
Reduced:	ClON5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	373.166938
ΔH_f, kcal/mol:	19.77
Dipole, Da:	4.62
IP(EA), eV:	-8.45(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chlorophenyl)triazol-4-yl]-(4-cyclopentyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=CC=C2Cl)C(=O)N3CCCN(CC3)C4CCCC4

DOS

IR

Vibrations