Geometry & MOs

Info

ID:	325164
PubChem CID:	126681688
Reduced:	ClFO2N4H26C28 (1)
Stoich.:	ABC2D4E26F28 (1)
Weight, g/mol:	481.284161
ΔH_f, kcal/mol:	-9.72
Dipole, Da:	5.49
IP(EA), eV:	-9.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-5-methyl-N-[3-[(2-methylbutylamino)-phenylmethyl]phenyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)C(CCC3CC3)(C4=CC=CC=N4)O)F)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations