Geometry & MOs

Info

ID:	323763
PubChem CID:	126676087
Reduced:	N3C6H11 (1)
Stoich.:	A3B6C11 (1)
Weight, g/mol:	355.16444
ΔH_f, kcal/mol:	15.68
Dipole, Da:	1.84
IP(EA), eV:	-8.11(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(hydroxymethyl)-1,2-dihydrotriazol-3-yl]cyclopentyl]-5-phenyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CN1)N)N

DOS

IR

Vibrations