Geometry & MOs

Info

ID:	243627
PubChem CID:	99233485
Reduced:	N2O4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	477.13755
ΔH_f, kcal/mol:	-167.14
Dipole, Da:	4.12
IP(EA), eV:	-9.01(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[1-(3-bromophenyl)-5-methyltriazole-4-carbonyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C2)C(=O)N3CCC[C@@H](C3)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations