Geometry & MOs

Info

ID:	324855
PubChem CID:	126678478
Reduced:	N2O5C19H26 (1)
Stoich.:	A2B5C19D26 (1)
Weight, g/mol:	498.288243
ΔH_f, kcal/mol:	-224.58
Dipole, Da:	6.04
IP(EA), eV:	-9.91(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[N'-[2-methyl-4-(4-propylphenyl)phenyl]carbamimidoyl]phenoxy]hexyl prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@@]1(C)C(=O)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations