Geometry & MOs

Info

ID:	290736
PubChem CID:	109889267
Reduced:	SN2O3C13H22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	359.210996
ΔH_f, kcal/mol:	-110.12
Dipole, Da:	2.66
IP(EA), eV:	-8.8(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)NC(CCO)CSC

DOS

IR

Vibrations