Geometry & MOs

Info

ID:	370785
PubChem CID:	127340567
Reduced:	OSN5C19H25 (1)
Stoich.:	ABC5D19E25 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	24.76
Dipole, Da:	4.1
IP(EA), eV:	-8.82(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-cyclopentyl-1,4-diazepane-1-carbonyl)phenoxy]benzonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCCN(CC2)C(=O)CC3=CSC(=N3)C4=NC=CN=C4

DOS

IR

Vibrations