Geometry & MOs

Info

ID:	279370
PubChem CID:	103843495
Reduced:	NSO2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-100.9
Dipole, Da:	5.63
IP(EA), eV:	-9.17(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3,5-trimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)CSCCC1=CC=CC=C1)CO

DOS

IR

Vibrations