Geometry & MOs

Info

ID:	163000
PubChem CID:	57581328
Reduced:	N2O4C33H40 (1)
Stoich.:	A2B4C33D40 (1)
Weight, g/mol:	393.187254
ΔH_f, kcal/mol:	-109.0
Dipole, Da:	5.91
IP(EA), eV:	-8.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-trimethylsilylethyl N-(1-benzyl-5-phenylpyrazol-4-yl)carbamate

Drug info:

PubChemData

Smile

CCCCCC/C=C/C1=CC(=NC(=C1)NC(=O)CCC(=O)C2=CC(=C(C=C2)OCC)OCC)C3=CC=CC=C3

DOS

IR

Vibrations