Geometry & MOs

Info

ID:	206314
PubChem CID:	80228976
Reduced:	SN2O2H10C11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	274.240899
ΔH_f, kcal/mol:	-25.13
Dipole, Da:	4.87
IP(EA), eV:	-9.15(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-aminoethyl)phenyl]methyl]-N,4,4-trimethylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CSC=C2C)C(=O)O

DOS

IR

Vibrations