Geometry & MOs

Info

ID:	404118
PubChem CID:	135065084
Reduced:	BrN2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	387.98237
ΔH_f, kcal/mol:	88.3
Dipole, Da:	5.23
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-bromophenyl)-5-dimethoxyphosphoryl-1H-pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC=C2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations