Geometry & MOs

Info

ID:	285050
PubChem CID:	104093447
Reduced:	O2N5C12H19 (1)
Stoich.:	A2B5C12D19 (1)
Weight, g/mol:	240.158626
ΔH_f, kcal/mol:	8.39
Dipole, Da:	4.67
IP(EA), eV:	-10.02(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-hydroxypropyl)triazol-1-yl]-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)CN2C=C(N=N2)CCCO

DOS

IR

Vibrations