Geometry & MOs

Info

ID:	211581
PubChem CID:	81044504
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	253.215413
ΔH_f, kcal/mol:	-98.3
Dipole, Da:	2.78
IP(EA), eV:	-8.85(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-diazepan-1-yl)-3-piperidin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

CC(CC(=O)NCC(=O)NC1CC1)C2CCCNC2

DOS

IR

Vibrations