Geometry & MOs

Info

ID:	157809
PubChem CID:	56437375
Reduced:	BrNO5C21H32 (1)
Stoich.:	ABC5D21E32 (1)
Weight, g/mol:	408.192818
ΔH_f, kcal/mol:	-238.31
Dipole, Da:	2.87
IP(EA), eV:	-8.23(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[2-(4-methylpentanoylamino)acetyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)CC(=O)N(C)CCCC(=O)OC(C)(C)C)Br)OCC

DOS

IR

Vibrations