Geometry & MOs

Info

ID:	255370
PubChem CID:	103131623
Reduced:	N4C11H14 (1)
Stoich.:	A4B11C14 (1)
Weight, g/mol:	263.118925
ΔH_f, kcal/mol:	74.42
Dipole, Da:	6.35
IP(EA), eV:	-8.96(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-chloro-4-(1-methylpyrazol-3-yl)phenyl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CNCC1=CC(=CN=C1)C2=NN(C=C2)C

DOS

IR

Vibrations