Geometry & MOs

Info

ID:	207518
PubChem CID:	80407988
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	253.215413
ΔH_f, kcal/mol:	-92.57
Dipole, Da:	7.07
IP(EA), eV:	-7.84(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methoxy-3-methylbutan-2-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=C(C=C1)NC(COC)C2CC2

DOS

IR

Vibrations