Geometry & MOs

Info

ID:	313356
PubChem CID:	126614063
Reduced:	O5C10H16 (1)
Stoich.:	A5B10C16 (1)
Weight, g/mol:	459.238273
ΔH_f, kcal/mol:	-236.31
Dipole, Da:	4.1
IP(EA), eV:	-10.55(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]triazol-4-yl] N-[[4-(aminomethyl)-2,6-dimethylphenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(=O)OCC(=O)OC1CCCO1

DOS

IR

Vibrations