Geometry & MOs

Info

ID:	189378
PubChem CID:	77847782
Reduced:	ClON8C27H33 (1)
Stoich.:	ABC8D27E33 (1)
Weight, g/mol:	472.246585
ΔH_f, kcal/mol:	41.79
Dipole, Da:	6.15
IP(EA), eV:	-8.59(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diamino-6-chloro-N-[N'-[[4-(2-phenylethyl)-1-propan-2-ylpiperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1(CCC2=CC=CC=C2)CN=C(N)NC(=O)C3=C(N=C(C(=N3)Cl)N)N)CC4=CC=CC=C4

DOS

IR

Vibrations