Geometry & MOs

Info

ID:	432203
PubChem CID:	135172335
Reduced:	OSC9H16 (1)
Stoich.:	ABC9D16 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	-74.74
Dipole, Da:	4.55
IP(EA), eV:	-9.3(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-N-[(2-methyltriazol-4-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC(C)(C)C[C@H]1CCSC1=O

DOS

IR

Vibrations