Geometry & MOs

Info

ID:	217924
PubChem CID:	85088598
Reduced:	NO2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	412.247441
ΔH_f, kcal/mol:	-122.77
Dipole, Da:	6.03
IP(EA), eV:	-8.83(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(4-carbamimidoylphenyl)methyl]-2-N-cyclohexyl-2-N-ethoxycyclopent-2-ene-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CCCCN1CC2C=C(C=CC23C1(C(=O)N(C3)CC4=CC=C(C=C4)OC)CO)OC

DOS

IR

Vibrations