Geometry & MOs

Info

ID:	290946
PubChem CID:	111644599
Reduced:	IO2N5C25H40 (1)
Stoich.:	AB2C5D25E40 (1)
Weight, g/mol:	351.263425
ΔH_f, kcal/mol:	-46.71
Dipole, Da:	2.77
IP(EA), eV:	-8.98(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[3-(oxolan-3-ylmethoxy)propyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1=C(N(N=C1C)CC2=CC=CC=C2)C)NCCCOCC3CCOCC3.I

DOS

IR

Vibrations