Geometry & MOs

Info

ID:	171913
PubChem CID:	75439954
Reduced:	N2O3C12H22 (1)
Stoich.:	A2B3C12D22 (1)
Weight, g/mol:	250.215747
ΔH_f, kcal/mol:	-121.85
Dipole, Da:	3.39
IP(EA), eV:	-9.17(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-N-propan-2-ylpentan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(O1)CN(C)C[C@@H](CO)O

DOS

IR

Vibrations