Geometry & MOs

Info

ID:	155348
PubChem CID:	56352938
Reduced:	ClN3O3H22C26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	402.145868
ΔH_f, kcal/mol:	-44.27
Dipole, Da:	6.07
IP(EA), eV:	-9.14(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-(2-ethoxypyridine-3-carbonyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)NC2=CC(=CC=C2)Cl)C(=O)C3=CC4=C(C=C3)C5=CC=CC=C5C4=O

DOS

IR

Vibrations