Geometry & MOs

Info

ID:	255368
PubChem CID:	103131618
Reduced:	N3C13H17 (1)
Stoich.:	A3B13C17 (1)
Weight, g/mol:	235.087625
ΔH_f, kcal/mol:	62.72
Dipole, Da:	2.02
IP(EA), eV:	-8.61(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-4-(1-methylpyrazol-3-yl)phenyl]ethanamine

Drug info:

PubChemData

Smile

CCNCC1=CC=CC=C1C2=NN(C=C2)C

DOS

IR

Vibrations