Geometry & MOs

Info

ID:	421934
PubChem CID:	135116868
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-9.29
Dipole, Da:	3.22
IP(EA), eV:	-9.33(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-piperidin-1-ylpentanoyl)-1,4-diazepane-1-carbonyl]benzonitrile

Drug info:

PubChemData

Smile

CCC1=NC(=C(O1)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5)C

DOS

IR

Vibrations