Geometry & MOs

Info

ID:	255730
PubChem CID:	103134322
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	321.08406
ΔH_f, kcal/mol:	-108.87
Dipole, Da:	3.04
IP(EA), eV:	-9.0(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(O1)CN(C)C2CCC(=O)CC2

DOS

IR

Vibrations