Geometry & MOs

Info

ID:	189379
PubChem CID:	77847783
Reduced:	ClON8C23H33 (1)
Stoich.:	ABC8D23E33 (1)
Weight, g/mol:	501.236749
ΔH_f, kcal/mol:	1.32
Dipole, Da:	4.59
IP(EA), eV:	-8.38(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diamino-N-[N'-[[4-benzyl-1-(propan-2-ylcarbamoyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)(CCC2=CC=CC=C2)CN=C(N)NC(=O)C3=C(N=C(C(=N3)Cl)N)N

DOS

IR

Vibrations