Geometry & MOs

Info

ID:	291360
PubChem CID:	111978736
Reduced:	BrON3C18H26 (1)
Stoich.:	ABC3D18E26 (1)
Weight, g/mol:	319.183067
ΔH_f, kcal/mol:	28.07
Dipole, Da:	4.87
IP(EA), eV:	-9.03(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-methyl-1-(thiophen-3-ylmethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)Br)NC2C3CCOC3C2(C)C

DOS

IR

Vibrations