Geometry & MOs

Info

ID:	365514
PubChem CID:	127317941
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	282.241962
ΔH_f, kcal/mol:	-70.78
Dipole, Da:	3.13
IP(EA), eV:	-8.88(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethylpiperidin-3-yl)-4,7-dimethyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)NCC3=C4C(=CC=C3)OCO4

DOS

IR

Vibrations