Geometry & MOs

Info

ID:	157672
PubChem CID:	56436400
Reduced:	ON7H21C23 (1)
Stoich.:	AB7C21D23 (1)
Weight, g/mol:	331.064303
ΔH_f, kcal/mol:	149.15
Dipole, Da:	5.41
IP(EA), eV:	-8.58(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dichlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=NN(C=C2CNCC3=CN=C(C=C3)N4C=NC=N4)C5=CC=CC=C5

DOS

IR

Vibrations