Geometry & MOs

Info

ID:	187534
PubChem CID:	77586085
Reduced:	N5O6C23H37 (1)
Stoich.:	A5B6C23D37 (1)
Weight, g/mol:	297.143704
ΔH_f, kcal/mol:	-265.56
Dipole, Da:	6.5
IP(EA), eV:	-9.39(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(acetyloxymethyl)triazol-1-yl]ethyl]piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)CC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)N

DOS

IR

Vibrations