Geometry & MOs

Info

ID:	255934
PubChem CID:	103135735
Reduced:	NO3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	307.06841
ΔH_f, kcal/mol:	-144.61
Dipole, Da:	1.85
IP(EA), eV:	-9.05(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COCC2CNCCO2

DOS

IR

Vibrations