Geometry & MOs

Info

ID:	156437
PubChem CID:	56370605
Reduced:	ON4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	3.43
Dipole, Da:	4.07
IP(EA), eV:	-8.82(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[2-oxo-2-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2CCC(C2)NC(=O)C3=CC(=NN3)C4=CC=CC=C4

DOS

IR

Vibrations