Geometry & MOs

Info

ID:	292395
PubChem CID:	115001267
Reduced:	N2O3C12H18 (1)
Stoich.:	A2B3C12D18 (1)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	-109.13
Dipole, Da:	5.28
IP(EA), eV:	-9.97(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCOC)(C(=O)O)NCC1=CC=NC=C1

DOS

IR

Vibrations