Geometry & MOs

Info

ID:	347301
PubChem CID:	127272095
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-63.31
Dipole, Da:	3.76
IP(EA), eV:	-8.86(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-[(1-phenyltriazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CSC=C2)CN(C)CC(=O)N3CCOCC3

DOS

IR

Vibrations