Geometry & MOs

Info

ID:	49663
PubChem CID:	11533492
Reduced:	O3N6H24C29 (1)
Stoich.:	A3B6C24D29 (1)
Weight, g/mol:	504.213696
ΔH_f, kcal/mol:	36.91
Dipole, Da:	4.34
IP(EA), eV:	-9.07(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-phenyl-5-(4-propylphenyl)pyrrol-1-yl]-N-[N'-[(2,3,4-trifluorophenyl)methyl]carbamimidoyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)NC3=CC(=CC=C3)OC4=CN=CC=C4)C5=CC=CC(=C5)CC(=O)N

DOS

IR

Vibrations