Geometry & MOs

Info

ID:	182691
PubChem CID:	76927088
Reduced:	O3N4C12H22 (1)
Stoich.:	A3B4C12D22 (1)
Weight, g/mol:	284.184841
ΔH_f, kcal/mol:	-115.64
Dipole, Da:	3.97
IP(EA), eV:	-9.41(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(N'-hydroxycarbamimidoyl)-N-[3-(methylamino)-3-oxopropyl]cycloheptane-1-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)CCNC(=O)C1(CCCCC1)C(=NO)N

DOS

IR

Vibrations