Geometry & MOs

Info

ID:	276802
PubChem CID:	103825294
Reduced:	BrN2O2C13H21 (1)
Stoich.:	AB2C2D13E21 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-94.19
Dipole, Da:	1.47
IP(EA), eV:	-9.2(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-2-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC(C)(C)CCO)Br

DOS

IR

Vibrations