Geometry & MOs

Info

ID:	367263
PubChem CID:	127324040
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-5.0
Dipole, Da:	5.03
IP(EA), eV:	-9.29(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-7-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NCC3CCCC4=CC=CC=C34

DOS

IR

Vibrations