Geometry & MOs

Info

ID:	346229
PubChem CID:	127270720
Reduced:	N2O3C22H34 (1)
Stoich.:	A2B3C22D34 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	-137.06
Dipole, Da:	5.44
IP(EA), eV:	-8.67(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN(CC(=O)N2CCCCCC2)C3CCC(CC3)O

DOS

IR

Vibrations