Geometry & MOs

Info

ID:	188386
PubChem CID:	77708182
Reduced:	ClO2N8C27H39 (1)
Stoich.:	AB2C8D27E39 (1)
Weight, g/mol:	506.311773
ΔH_f, kcal/mol:	-49.62
Dipole, Da:	5.02
IP(EA), eV:	-8.98(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-2-[(4-carbamimidoylphenyl)methylamino]-2-pyrazolidin-3-ylacetamide

Drug info:

PubChemData

Smile

C1CNNC1C(C(=O)NCC(=O)NC2CCN(CC2)CC3=CC=CC=C3)NCC4=CC=C(C=C4)C(=N)N.Cl

DOS

IR

Vibrations