Geometry & MOs

Info

ID:	342961
PubChem CID:	127266124
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	-43.45
Dipole, Da:	2.43
IP(EA), eV:	-9.39(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)NCC2CCN(C(=O)C2)C)[N+](=O)[O-]

DOS

IR

Vibrations