Geometry & MOs

Info

ID:	70813
PubChem CID:	48413903
Reduced:	OSN6C17H20 (1)
Stoich.:	ABC6D17E20 (1)
Weight, g/mol:	395.08445
ΔH_f, kcal/mol:	45.53
Dipole, Da:	6.69
IP(EA), eV:	-8.51(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4,5-diethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations