Geometry & MOs

Info

ID:	342348
PubChem CID:	127265171
Reduced:	OSN4H14C18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	333.172024
ΔH_f, kcal/mol:	82.16
Dipole, Da:	5.0
IP(EA), eV:	-9.07(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1,5-dimethylpyrazol-4-amine

Drug info:

PubChemData

Smile

CC(=CC1=NN(C=C1)C2=CC=CC=C2)C3=NC4=C(C=CS4)C(=O)N3

DOS

IR

Vibrations