Geometry & MOs

Info

ID:	343811
PubChem CID:	127266987
Reduced:	O3N5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	17.45
Dipole, Da:	7.56
IP(EA), eV:	-9.83(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-methyl-3-[(4-phenyl-1,2,4-triazol-3-yl)methylamino]propyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NOC(=C1)CNCC2=NN=CN2C3=CC=CC=C3

DOS

IR

Vibrations