Geometry & MOs

Info

ID:	275905
PubChem CID:	103818956
Reduced:	NO2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	337.07897
ΔH_f, kcal/mol:	-186.57
Dipole, Da:	1.14
IP(EA), eV:	-8.15(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-(methoxymethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NCCNC(=O)OC(C)(C)C)CO

DOS

IR

Vibrations