Geometry & MOs

Info

ID:	343755
PubChem CID:	127266931
Reduced:	O2N5C14H25 (1)
Stoich.:	A2B5C14D25 (1)
Weight, g/mol:	294.216809
ΔH_f, kcal/mol:	-63.78
Dipole, Da:	2.89
IP(EA), eV:	-9.12(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C)N1CCC(CC1)C2=NN=C(O2)N

DOS

IR

Vibrations