Geometry & MOs

Info

ID:	245353
PubChem CID:	99443811
Reduced:	BrFON4H16C18 (1)
Stoich.:	ABCD4E16F18 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	26.9
Dipole, Da:	4.38
IP(EA), eV:	-9.53(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=C(C=CC(=C1)Br)F)C(=O)C2=NN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations