Geometry & MOs

Info

ID:	676
PubChem CID:	3179
Reduced:	O3N4C26H26 (1)
Stoich.:	A3B4C26D26 (1)
Weight, g/mol:	442.200491
ΔH_f, kcal/mol:	-22.0
Dipole, Da:	6.55
IP(EA), eV:	-8.55(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(1-aminoethyl)pyrrol-3-yl]oxyphenyl]-3-(7-carbamimidoylnaphthalen-2-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(N)N1C=CC(=C1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O

DOS

IR

Vibrations