Geometry & MOs

Info

ID:	252098
PubChem CID:	103109126
Reduced:	O2N3C10H21 (1)
Stoich.:	A2B3C10D21 (1)
Weight, g/mol:	293.093104
ΔH_f, kcal/mol:	-113.45
Dipole, Da:	1.41
IP(EA), eV:	-9.45(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-(2-phenylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NC(C)C(=O)N(C)CC)N

DOS

IR

Vibrations