Geometry & MOs

Info

ID:	190054
PubChem CID:	77945854
Reduced:	NOC28H57 (1)
Stoich.:	ABC28D57 (1)
Weight, g/mol:	383.268511
ΔH_f, kcal/mol:	-158.46
Dipole, Da:	2.25
IP(EA), eV:	-9.18(2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[4-[[5-methylimino-1-(2-methylpropyl)azepan-4-ylidene]methylamino]phenyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CCCCC(CCC(C)C(C1CCCCC1C(C)CC)C(CCCC(C)C)N)OC

DOS

IR

Vibrations