Geometry & MOs

Info

ID:	290932
PubChem CID:	111641062
Reduced:	SO3N4C22H32 (1)
Stoich.:	AB3C4D22E32 (1)
Weight, g/mol:	357.252861
ΔH_f, kcal/mol:	-69.72
Dipole, Da:	7.3
IP(EA), eV:	-8.72(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methoxyphenyl)butyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)S(=O)(=O)NC)NCCC(C)C2=CC=C(C=C2)OC

DOS

IR

Vibrations