Geometry & MOs

Info

ID:	151664
PubChem CID:	56261035
Reduced:	O3N4H22C24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	487.08552
ΔH_f, kcal/mol:	34.54
Dipole, Da:	5.48
IP(EA), eV:	-8.68(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-bromophenyl)-2-[3-(3-carbamoyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)NC(=O)/C=C/C2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

DOS

IR

Vibrations