Geometry & MOs

Info

ID:	319043
PubChem CID:	126654296
Reduced:	NO3C17H37 (1)
Stoich.:	AB3C17D37 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	-185.58
Dipole, Da:	3.14
IP(EA), eV:	-8.83(1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)COCCOCCOCCCCNC(C)(C)C

DOS

IR

Vibrations